Zarić, Snežana D.

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  • Zarić, Snežana D. (25)

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Anatase nanoparticles surface modified with fused ring salicylate-type ligands (1-hydroxy-2-naphthoic acids): A combined DFT and experimental study

Savić, Tatjana D.; Čomor, Mirjana; Abazović, Nadica; Šaponjić, Zoran; Marinović-Cincović, Milena; Veljkovic, Dusan Z.; Zarić, Snežana D.; Janković, Ivana A.

(2015)

TY  - JOUR
AU  - Savić, Tatjana D.
AU  - Čomor, Mirjana
AU  - Abazović, Nadica
AU  - Šaponjić, Zoran
AU  - Marinović-Cincović, Milena
AU  - Veljkovic, Dusan Z.
AU  - Zarić, Snežana D.
AU  - Janković, Ivana A.
PY  - 2015
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/410
AB  - Sensitization of TiO2 crystals and nanoparticles with appropriately chosen organic molecules can lead to a significant shift of their absorption threshold from the UV to the visible, thus improving the absorption of the solar spectrum as well as the efficiency of photocatalytic and photovoltaic devices. Herein, the surface modification of nanocrystalline TiO2 particles (45 angstrom) with salicylate-type ligands consisting of an extended aromatic ring system, specifically 1-hydroxy-2-naphthoic acid and 1,4-dihydroxy-2-naphthoic acid, was found to alter the optical properties of nanoparticles in a similar way to salicylic acid. From both absorption measurements and steady-state quenching measurements of modifier fluorescence upon binding to TiO2 in methanol/ water = 90/10 solutions, stability constants in the order of 10(3) M-1 have been determined at pH 2. Fluorescence lifetime measurements, in the presence and absence of colloidal TiO2 nanoparticles, indicated that the fluorescence quenching process is primarily static quenching, thus proving the formation of a nonfluorescent charge-transfer (CT) complex. The binding structures were investigated by using FTIR spectroscopy. Thermal stability of CT-complexes was investigated by using TPD analysis (TG/DTA/MS). Quantum chemical calculations on model systems using density functional theory (DFT) were performed to obtain the vibrational frequencies of charge transfer complexes, and the calculated values were compared with the experimental data. The investigated ligands have the optimal geometry for binding to surface Ti atoms, resulting in ring coordination complexes of a salicylate type (binuclear bidentate binding-bridging) thus restoring the six-coordinated octahedral geometry of surface Ti atoms. The formation of the inner-sphere CT-complexes results in a red shift of the semiconductor absorption compared to unmodified nanocrystallites and a reduction in the band gap upon the increase in the electron delocalization when including an additional ring. (C) 2015 Elsevier B.V. All rights reserved.
T2  - Journal of Alloys and Compounds
T1  - Anatase nanoparticles surface modified with fused ring salicylate-type ligands (1-hydroxy-2-naphthoic acids): A combined DFT and experimental study
VL  - 630
SP  - 226
EP  - 235
DO  - 10.1016/j.jallcom.2015.01.041
ER  - 
@article{
author = "Savić, Tatjana D. and Čomor, Mirjana and Abazović, Nadica and Šaponjić, Zoran and Marinović-Cincović, Milena and Veljkovic, Dusan Z. and Zarić, Snežana D. and Janković, Ivana A.",
year = "2015",
abstract = "Sensitization of TiO2 crystals and nanoparticles with appropriately chosen organic molecules can lead to a significant shift of their absorption threshold from the UV to the visible, thus improving the absorption of the solar spectrum as well as the efficiency of photocatalytic and photovoltaic devices. Herein, the surface modification of nanocrystalline TiO2 particles (45 angstrom) with salicylate-type ligands consisting of an extended aromatic ring system, specifically 1-hydroxy-2-naphthoic acid and 1,4-dihydroxy-2-naphthoic acid, was found to alter the optical properties of nanoparticles in a similar way to salicylic acid. From both absorption measurements and steady-state quenching measurements of modifier fluorescence upon binding to TiO2 in methanol/ water = 90/10 solutions, stability constants in the order of 10(3) M-1 have been determined at pH 2. Fluorescence lifetime measurements, in the presence and absence of colloidal TiO2 nanoparticles, indicated that the fluorescence quenching process is primarily static quenching, thus proving the formation of a nonfluorescent charge-transfer (CT) complex. The binding structures were investigated by using FTIR spectroscopy. Thermal stability of CT-complexes was investigated by using TPD analysis (TG/DTA/MS). Quantum chemical calculations on model systems using density functional theory (DFT) were performed to obtain the vibrational frequencies of charge transfer complexes, and the calculated values were compared with the experimental data. The investigated ligands have the optimal geometry for binding to surface Ti atoms, resulting in ring coordination complexes of a salicylate type (binuclear bidentate binding-bridging) thus restoring the six-coordinated octahedral geometry of surface Ti atoms. The formation of the inner-sphere CT-complexes results in a red shift of the semiconductor absorption compared to unmodified nanocrystallites and a reduction in the band gap upon the increase in the electron delocalization when including an additional ring. (C) 2015 Elsevier B.V. All rights reserved.",
journal = "Journal of Alloys and Compounds",
title = "Anatase nanoparticles surface modified with fused ring salicylate-type ligands (1-hydroxy-2-naphthoic acids): A combined DFT and experimental study",
volume = "630",
pages = "226-235",
doi = "10.1016/j.jallcom.2015.01.041"
}
Savić, T. D., Čomor, M., Abazović, N., Šaponjić, Z., Marinović-Cincović, M., Veljkovic, D. Z., Zarić, S. D.,& Janković, I. A.. (2015). Anatase nanoparticles surface modified with fused ring salicylate-type ligands (1-hydroxy-2-naphthoic acids): A combined DFT and experimental study. in Journal of Alloys and Compounds, 630, 226-235.
https://doi.org/10.1016/j.jallcom.2015.01.041
Savić TD, Čomor M, Abazović N, Šaponjić Z, Marinović-Cincović M, Veljkovic DZ, Zarić SD, Janković IA. Anatase nanoparticles surface modified with fused ring salicylate-type ligands (1-hydroxy-2-naphthoic acids): A combined DFT and experimental study. in Journal of Alloys and Compounds. 2015;630:226-235.
doi:10.1016/j.jallcom.2015.01.041 .
Savić, Tatjana D., Čomor, Mirjana, Abazović, Nadica, Šaponjić, Zoran, Marinović-Cincović, Milena, Veljkovic, Dusan Z., Zarić, Snežana D., Janković, Ivana A., "Anatase nanoparticles surface modified with fused ring salicylate-type ligands (1-hydroxy-2-naphthoic acids): A combined DFT and experimental study" in Journal of Alloys and Compounds, 630 (2015):226-235,
https://doi.org/10.1016/j.jallcom.2015.01.041 . .
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The effect of substituents on the surface modification of anatase nanoparticles with catecholate-type ligands: a combined DFT and experimental study

Savić, Tatjana D.; Čomor, Mirjana; Nedeljković, Jovan; Veljkovic, Dusan Z.; Zarić, Snežana D.; Rakić, Vesna M.; Janković, Ivana A.

(2014)

TY  - JOUR
AU  - Savić, Tatjana D.
AU  - Čomor, Mirjana
AU  - Nedeljković, Jovan
AU  - Veljkovic, Dusan Z.
AU  - Zarić, Snežana D.
AU  - Rakić, Vesna M.
AU  - Janković, Ivana A.
PY  - 2014
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/125
AB  - The surface modification of nanocrystalline TiO2 particles (45 angstrom) with catecholate-type ligands having different electron donating/electron withdrawing substituent groups, specifically 3-methylcatechol, 4-methylcatechol, 3-methoxycatechol, 3,4-dihydroxybenzaldehyde and 4-nitrocatechol, was found to alter the optical properties of nanoparticles in a similar way to catechol. The formation of the inner-sphere charge-transfer (CT) complexes results in a red shift of the semiconductor absorption compared to unmodified nanocrystallites and a reduction of the effective band gap, being slightly less pronounced in the case of electron withdrawing substituents. The investigated ligands have the optimal geometry for binding to surface Ti atoms, resulting in ring coordination complexes of the catecholate type (binuclear bidentate binding-bridging) thus restoring six-coordinated octahedral geometry of surface Ti atoms. From the absorption measurements (Benesi-Hildebrand plot), the stability constants in methanol/water = 90/10 solutions at pH 2 in the order of 10(3) M-1 have been determined. The binding structures were investigated by using FTIR spectroscopy. Thermal stability of CT-complexes was investigated by using TG/DSC/MS analysis. Quantum chemical calculations on model systems using density functional theory (DFT) were performed to obtain the vibrational frequencies of charge transfer complexes, and the calculated values were compared with the experimental data.
T2  - Physical Chemistry Chemical Physics
T1  - The effect of substituents on the surface modification of anatase nanoparticles with catecholate-type ligands: a combined DFT and experimental study
VL  - 16
IS  - 38
SP  - 20796
EP  - 20805
DO  - 10.1039/c4cp02197e
ER  - 
@article{
author = "Savić, Tatjana D. and Čomor, Mirjana and Nedeljković, Jovan and Veljkovic, Dusan Z. and Zarić, Snežana D. and Rakić, Vesna M. and Janković, Ivana A.",
year = "2014",
abstract = "The surface modification of nanocrystalline TiO2 particles (45 angstrom) with catecholate-type ligands having different electron donating/electron withdrawing substituent groups, specifically 3-methylcatechol, 4-methylcatechol, 3-methoxycatechol, 3,4-dihydroxybenzaldehyde and 4-nitrocatechol, was found to alter the optical properties of nanoparticles in a similar way to catechol. The formation of the inner-sphere charge-transfer (CT) complexes results in a red shift of the semiconductor absorption compared to unmodified nanocrystallites and a reduction of the effective band gap, being slightly less pronounced in the case of electron withdrawing substituents. The investigated ligands have the optimal geometry for binding to surface Ti atoms, resulting in ring coordination complexes of the catecholate type (binuclear bidentate binding-bridging) thus restoring six-coordinated octahedral geometry of surface Ti atoms. From the absorption measurements (Benesi-Hildebrand plot), the stability constants in methanol/water = 90/10 solutions at pH 2 in the order of 10(3) M-1 have been determined. The binding structures were investigated by using FTIR spectroscopy. Thermal stability of CT-complexes was investigated by using TG/DSC/MS analysis. Quantum chemical calculations on model systems using density functional theory (DFT) were performed to obtain the vibrational frequencies of charge transfer complexes, and the calculated values were compared with the experimental data.",
journal = "Physical Chemistry Chemical Physics",
title = "The effect of substituents on the surface modification of anatase nanoparticles with catecholate-type ligands: a combined DFT and experimental study",
volume = "16",
number = "38",
pages = "20796-20805",
doi = "10.1039/c4cp02197e"
}
Savić, T. D., Čomor, M., Nedeljković, J., Veljkovic, D. Z., Zarić, S. D., Rakić, V. M.,& Janković, I. A.. (2014). The effect of substituents on the surface modification of anatase nanoparticles with catecholate-type ligands: a combined DFT and experimental study. in Physical Chemistry Chemical Physics, 16(38), 20796-20805.
https://doi.org/10.1039/c4cp02197e
Savić TD, Čomor M, Nedeljković J, Veljkovic DZ, Zarić SD, Rakić VM, Janković IA. The effect of substituents on the surface modification of anatase nanoparticles with catecholate-type ligands: a combined DFT and experimental study. in Physical Chemistry Chemical Physics. 2014;16(38):20796-20805.
doi:10.1039/c4cp02197e .
Savić, Tatjana D., Čomor, Mirjana, Nedeljković, Jovan, Veljkovic, Dusan Z., Zarić, Snežana D., Rakić, Vesna M., Janković, Ivana A., "The effect of substituents on the surface modification of anatase nanoparticles with catecholate-type ligands: a combined DFT and experimental study" in Physical Chemistry Chemical Physics, 16, no. 38 (2014):20796-20805,
https://doi.org/10.1039/c4cp02197e . .
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Surface modification of anatase nanoparticles with fused ring salicylate-type ligands (3-hydroxy-2-naphthoic acids): a combined DFT and experimental study of optical properties

Savić, Tatjana D.; Šaponjić, Zoran; Čomor, Mirjana; Nedeljković, Jovan; Dramićanin, Miroslav; Nikolic, Marko G.; Veljkovic, Dusan Z.; Zarić, Snežana D.; Janković, Ivana A.

(2013)

TY  - JOUR
AU  - Savić, Tatjana D.
AU  - Šaponjić, Zoran
AU  - Čomor, Mirjana
AU  - Nedeljković, Jovan
AU  - Dramićanin, Miroslav
AU  - Nikolic, Marko G.
AU  - Veljkovic, Dusan Z.
AU  - Zarić, Snežana D.
AU  - Janković, Ivana A.
PY  - 2013
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/5601
AB  - The surface modification of nanocrystalline TiO2 particles (45 angstrom) with salicylate-type ligands consisting of an extended aromatic ring system, specifically 3-hydroxy-2-naphthoic acid, 3,5-dihydroxy-2-naphthoic acid and 3,7-dihydroxy-2-naphthoic acid, was found to alter the optical properties of nanoparticles in a similar way to salicylic acid. The formation of the inner-sphere charge-transfer (CT) complexes results in a red shift of the semiconductor absorption compared to unmodified nanocrystallites and a reduction in the band gap upon the increase in the electron delocalization when including an additional ring. The investigated ligands have the optimal geometry for binding to surface Ti atoms, resulting in ring coordination complexes of a salicylate-type (binuclear bidentate binding-bridging) thus restoring the six-coordinated octahedral geometry of surface Ti atoms. From both absorption measurements in methanol/water = 90/10 solutions and steady-state quenching measurements of modifier fluorescence upon binding to TiO2 in aqueous solutions, stability constants in the order of 10(3) M-1 have been determined at pH 2 and pH 3. Fluorescence lifetime measurements, in the presence and absence of colloidal TiO2 nanoparticles, indicated that the fluorescence quenching process is primarily static quenching, thus proving the formation of a nonfluorescent CT complex. The binding structures were investigated by using FTIR spectroscopy. Quantum chemical calculations on model systems using density functional theory (DFT) were performed to obtain the vibrational frequencies of charge transfer complexes, and the calculated values were then compared with the experimental data.
T2  - Nanoscale
T1  - Surface modification of anatase nanoparticles with fused ring salicylate-type ligands (3-hydroxy-2-naphthoic acids): a combined DFT and experimental study of optical properties
VL  - 5
IS  - 16
SP  - 7601
EP  - 7612
DO  - 10.1039/c3nr01277h
ER  - 
@article{
author = "Savić, Tatjana D. and Šaponjić, Zoran and Čomor, Mirjana and Nedeljković, Jovan and Dramićanin, Miroslav and Nikolic, Marko G. and Veljkovic, Dusan Z. and Zarić, Snežana D. and Janković, Ivana A.",
year = "2013",
abstract = "The surface modification of nanocrystalline TiO2 particles (45 angstrom) with salicylate-type ligands consisting of an extended aromatic ring system, specifically 3-hydroxy-2-naphthoic acid, 3,5-dihydroxy-2-naphthoic acid and 3,7-dihydroxy-2-naphthoic acid, was found to alter the optical properties of nanoparticles in a similar way to salicylic acid. The formation of the inner-sphere charge-transfer (CT) complexes results in a red shift of the semiconductor absorption compared to unmodified nanocrystallites and a reduction in the band gap upon the increase in the electron delocalization when including an additional ring. The investigated ligands have the optimal geometry for binding to surface Ti atoms, resulting in ring coordination complexes of a salicylate-type (binuclear bidentate binding-bridging) thus restoring the six-coordinated octahedral geometry of surface Ti atoms. From both absorption measurements in methanol/water = 90/10 solutions and steady-state quenching measurements of modifier fluorescence upon binding to TiO2 in aqueous solutions, stability constants in the order of 10(3) M-1 have been determined at pH 2 and pH 3. Fluorescence lifetime measurements, in the presence and absence of colloidal TiO2 nanoparticles, indicated that the fluorescence quenching process is primarily static quenching, thus proving the formation of a nonfluorescent CT complex. The binding structures were investigated by using FTIR spectroscopy. Quantum chemical calculations on model systems using density functional theory (DFT) were performed to obtain the vibrational frequencies of charge transfer complexes, and the calculated values were then compared with the experimental data.",
journal = "Nanoscale",
title = "Surface modification of anatase nanoparticles with fused ring salicylate-type ligands (3-hydroxy-2-naphthoic acids): a combined DFT and experimental study of optical properties",
volume = "5",
number = "16",
pages = "7601-7612",
doi = "10.1039/c3nr01277h"
}
Savić, T. D., Šaponjić, Z., Čomor, M., Nedeljković, J., Dramićanin, M., Nikolic, M. G., Veljkovic, D. Z., Zarić, S. D.,& Janković, I. A.. (2013). Surface modification of anatase nanoparticles with fused ring salicylate-type ligands (3-hydroxy-2-naphthoic acids): a combined DFT and experimental study of optical properties. in Nanoscale, 5(16), 7601-7612.
https://doi.org/10.1039/c3nr01277h
Savić TD, Šaponjić Z, Čomor M, Nedeljković J, Dramićanin M, Nikolic MG, Veljkovic DZ, Zarić SD, Janković IA. Surface modification of anatase nanoparticles with fused ring salicylate-type ligands (3-hydroxy-2-naphthoic acids): a combined DFT and experimental study of optical properties. in Nanoscale. 2013;5(16):7601-7612.
doi:10.1039/c3nr01277h .
Savić, Tatjana D., Šaponjić, Zoran, Čomor, Mirjana, Nedeljković, Jovan, Dramićanin, Miroslav, Nikolic, Marko G., Veljkovic, Dusan Z., Zarić, Snežana D., Janković, Ivana A., "Surface modification of anatase nanoparticles with fused ring salicylate-type ligands (3-hydroxy-2-naphthoic acids): a combined DFT and experimental study of optical properties" in Nanoscale, 5, no. 16 (2013):7601-7612,
https://doi.org/10.1039/c3nr01277h . .
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Surface modification of anatase nanoparticles with fused ring catecholate type ligands: a combined DFT and experimental study of optical properties

Savić, Tatjana D.; Janković, Ivana A.; Šaponjić, Zoran; Čomor, Mirjana; Veljkovic, Dusan Z.; Zarić, Snežana D.; Nedeljković, Jovan

(2012)

TY  - JOUR
AU  - Savić, Tatjana D.
AU  - Janković, Ivana A.
AU  - Šaponjić, Zoran
AU  - Čomor, Mirjana
AU  - Veljkovic, Dusan Z.
AU  - Zarić, Snežana D.
AU  - Nedeljković, Jovan
PY  - 2012
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/4698
AB  - Surface modification of nanocrystalline TiO2 particles (45 angstrom) with catecholate-type ligands consisting of an extended aromatic ring system, i.e., 2,3-dihydroxynaphthalene and anthrarobin, was found to alter the optical properties of the nanoparticles in a similar way to modification with catechol. The formation of inner-sphere charge-transfer (CT) complexes results in a red shift of the semiconductor absorption compared to unmodified nanocrystallites and the reduction of the band gap upon the increase of the electron delocalization on the inclusion of additional rings. The binding structures were investigated by FTIR spectroscopy. The investigated ligands have the optimal geometry for binding to surface Ti atoms, resulting in ring coordination complexes of catecholate type (binuclear bidentate binding-bridging) thus restoring the six-coordinated octahedral geometry of surface Ti atoms. From the Benesi-Hildebrand plot, stability constants in methanol/water = 90/10 solutions at pH 2 of the order 10(3) M-1 have been determined. Quantum chemical calculations on model systems using density functional theory (DFT) were performed to obtain vibrational frequencies of charge transfer complexes, and the calculated values were compared with the experimental data.
T2  - Nanoscale
T1  - Surface modification of anatase nanoparticles with fused ring catecholate type ligands: a combined DFT and experimental study of optical properties
VL  - 4
IS  - 5
SP  - 1612
EP  - 1619
DO  - 10.1039/c2nr11501h
ER  - 
@article{
author = "Savić, Tatjana D. and Janković, Ivana A. and Šaponjić, Zoran and Čomor, Mirjana and Veljkovic, Dusan Z. and Zarić, Snežana D. and Nedeljković, Jovan",
year = "2012",
abstract = "Surface modification of nanocrystalline TiO2 particles (45 angstrom) with catecholate-type ligands consisting of an extended aromatic ring system, i.e., 2,3-dihydroxynaphthalene and anthrarobin, was found to alter the optical properties of the nanoparticles in a similar way to modification with catechol. The formation of inner-sphere charge-transfer (CT) complexes results in a red shift of the semiconductor absorption compared to unmodified nanocrystallites and the reduction of the band gap upon the increase of the electron delocalization on the inclusion of additional rings. The binding structures were investigated by FTIR spectroscopy. The investigated ligands have the optimal geometry for binding to surface Ti atoms, resulting in ring coordination complexes of catecholate type (binuclear bidentate binding-bridging) thus restoring the six-coordinated octahedral geometry of surface Ti atoms. From the Benesi-Hildebrand plot, stability constants in methanol/water = 90/10 solutions at pH 2 of the order 10(3) M-1 have been determined. Quantum chemical calculations on model systems using density functional theory (DFT) were performed to obtain vibrational frequencies of charge transfer complexes, and the calculated values were compared with the experimental data.",
journal = "Nanoscale",
title = "Surface modification of anatase nanoparticles with fused ring catecholate type ligands: a combined DFT and experimental study of optical properties",
volume = "4",
number = "5",
pages = "1612-1619",
doi = "10.1039/c2nr11501h"
}
Savić, T. D., Janković, I. A., Šaponjić, Z., Čomor, M., Veljkovic, D. Z., Zarić, S. D.,& Nedeljković, J.. (2012). Surface modification of anatase nanoparticles with fused ring catecholate type ligands: a combined DFT and experimental study of optical properties. in Nanoscale, 4(5), 1612-1619.
https://doi.org/10.1039/c2nr11501h
Savić TD, Janković IA, Šaponjić Z, Čomor M, Veljkovic DZ, Zarić SD, Nedeljković J. Surface modification of anatase nanoparticles with fused ring catecholate type ligands: a combined DFT and experimental study of optical properties. in Nanoscale. 2012;4(5):1612-1619.
doi:10.1039/c2nr11501h .
Savić, Tatjana D., Janković, Ivana A., Šaponjić, Zoran, Čomor, Mirjana, Veljkovic, Dusan Z., Zarić, Snežana D., Nedeljković, Jovan, "Surface modification of anatase nanoparticles with fused ring catecholate type ligands: a combined DFT and experimental study of optical properties" in Nanoscale, 4, no. 5 (2012):1612-1619,
https://doi.org/10.1039/c2nr11501h . .
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39

Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings

Sredojević, Dušan; Vojislavljevic, Dubravka Z.; Tomić, Zoran D.; Zarić, Snežana D.

(2012)

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Vojislavljevic, Dubravka Z.
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2012
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/4856
AB  - Stacking interactions in the crystal structures of square-planar transition metal complexes from the Cambridge Structural Database with five-and six-membered chelate rings fused with C6-arom rings (arom = aromatic) were analyzed. The distribution of distances between the closest C6-arom-C6-arom and C6-arom-chelate contacts shows that in a large fraction of the intermolecular interactions the C6-arom ring of one molecule is closer to the chelate than to the C6-arom ring of the other molecule. These results indicate a possible preference of the C6-arom ring to form stacking contacts with the chelate rings. The preference is ubiquitous and does not depend on the metal type.
T2  - Acta Crystallographica. Section B: Structural Science
T1  - Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings
VL  - 68
SP  - 261
EP  - 265
DO  - 10.1107/S0108768112012281
ER  - 
@article{
author = "Sredojević, Dušan and Vojislavljevic, Dubravka Z. and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2012",
abstract = "Stacking interactions in the crystal structures of square-planar transition metal complexes from the Cambridge Structural Database with five-and six-membered chelate rings fused with C6-arom rings (arom = aromatic) were analyzed. The distribution of distances between the closest C6-arom-C6-arom and C6-arom-chelate contacts shows that in a large fraction of the intermolecular interactions the C6-arom ring of one molecule is closer to the chelate than to the C6-arom ring of the other molecule. These results indicate a possible preference of the C6-arom ring to form stacking contacts with the chelate rings. The preference is ubiquitous and does not depend on the metal type.",
journal = "Acta Crystallographica. Section B: Structural Science",
title = "Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings",
volume = "68",
pages = "261-265",
doi = "10.1107/S0108768112012281"
}
Sredojević, D., Vojislavljevic, D. Z., Tomić, Z. D.,& Zarić, S. D.. (2012). Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings. in Acta Crystallographica. Section B: Structural Science, 68, 261-265.
https://doi.org/10.1107/S0108768112012281
Sredojević D, Vojislavljevic DZ, Tomić ZD, Zarić SD. Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings. in Acta Crystallographica. Section B: Structural Science. 2012;68:261-265.
doi:10.1107/S0108768112012281 .
Sredojević, Dušan, Vojislavljevic, Dubravka Z., Tomić, Zoran D., Zarić, Snežana D., "Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings" in Acta Crystallographica. Section B: Structural Science, 68 (2012):261-265,
https://doi.org/10.1107/S0108768112012281 . .
1
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22

CH/pi interactions in metal-porphyrin complexes with pyrrole and chelate rings as hydrogen acceptors

Medaković, Vesna B.; Bogdanović, Goran A.; Milčić, Miloš K.; Janjić, Goran V.; Zarić, Snežana D.

(2012)

TY  - JOUR
AU  - Medaković, Vesna B.
AU  - Bogdanović, Goran A.
AU  - Milčić, Miloš K.
AU  - Janjić, Goran V.
AU  - Zarić, Snežana D.
PY  - 2012
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/5184
AB  - CH/pi interactions in metal porphyrinato complexes were studied by analyzing data in crystal structures from the Cambridge Structural Database (CSD) and by quantum chemical calculations. The analysis of the data in the CSD shows that both five-membered pyrrole and six-membered chelate rings form CH/pi interactions. The interactions occur more frequently with five-membered rings. The analysis of distances in crystal structures and calculated energies show stronger interactions with six-membered chelate rings, indicating that a larger number of interactions with five-membered rings are not the consequence of stronger interactions, but better accessibility of five-membered pyrrole rings. The calculated energies of the interactions with positions in six-membered rings are -2.09 to -2.83 kcal/mol, while the energies with five-membered rings are -2.05 to -2.26 kcal/mol. The results reveal that stronger interactions of six-membered rings are the consequence of stronger electrostatic interactions. Substituents on the porphyrin ring significantly strengthen the interactions. Substituents on the six-membered ring strengthen the interaction energy by about 20%. The results show that CH/pi interactions play an important role in molecular recognition of metalloporphyrins. The significant influence of the substituents on interaction energies can be very important for the design of model systems in bioinorganic chemistry. (C) 2012 Elsevier Inc. All rights reserved.
T2  - Journal of Inorganic Biochemistry
T1  - CH/pi interactions in metal-porphyrin complexes with pyrrole and chelate rings as hydrogen acceptors
VL  - 117
SP  - 157
EP  - 163
DO  - 10.1016/j.jinorgbio.2012.09.002
ER  - 
@article{
author = "Medaković, Vesna B. and Bogdanović, Goran A. and Milčić, Miloš K. and Janjić, Goran V. and Zarić, Snežana D.",
year = "2012",
abstract = "CH/pi interactions in metal porphyrinato complexes were studied by analyzing data in crystal structures from the Cambridge Structural Database (CSD) and by quantum chemical calculations. The analysis of the data in the CSD shows that both five-membered pyrrole and six-membered chelate rings form CH/pi interactions. The interactions occur more frequently with five-membered rings. The analysis of distances in crystal structures and calculated energies show stronger interactions with six-membered chelate rings, indicating that a larger number of interactions with five-membered rings are not the consequence of stronger interactions, but better accessibility of five-membered pyrrole rings. The calculated energies of the interactions with positions in six-membered rings are -2.09 to -2.83 kcal/mol, while the energies with five-membered rings are -2.05 to -2.26 kcal/mol. The results reveal that stronger interactions of six-membered rings are the consequence of stronger electrostatic interactions. Substituents on the porphyrin ring significantly strengthen the interactions. Substituents on the six-membered ring strengthen the interaction energy by about 20%. The results show that CH/pi interactions play an important role in molecular recognition of metalloporphyrins. The significant influence of the substituents on interaction energies can be very important for the design of model systems in bioinorganic chemistry. (C) 2012 Elsevier Inc. All rights reserved.",
journal = "Journal of Inorganic Biochemistry",
title = "CH/pi interactions in metal-porphyrin complexes with pyrrole and chelate rings as hydrogen acceptors",
volume = "117",
pages = "157-163",
doi = "10.1016/j.jinorgbio.2012.09.002"
}
Medaković, V. B., Bogdanović, G. A., Milčić, M. K., Janjić, G. V.,& Zarić, S. D.. (2012). CH/pi interactions in metal-porphyrin complexes with pyrrole and chelate rings as hydrogen acceptors. in Journal of Inorganic Biochemistry, 117, 157-163.
https://doi.org/10.1016/j.jinorgbio.2012.09.002
Medaković VB, Bogdanović GA, Milčić MK, Janjić GV, Zarić SD. CH/pi interactions in metal-porphyrin complexes with pyrrole and chelate rings as hydrogen acceptors. in Journal of Inorganic Biochemistry. 2012;117:157-163.
doi:10.1016/j.jinorgbio.2012.09.002 .
Medaković, Vesna B., Bogdanović, Goran A., Milčić, Miloš K., Janjić, Goran V., Zarić, Snežana D., "CH/pi interactions in metal-porphyrin complexes with pyrrole and chelate rings as hydrogen acceptors" in Journal of Inorganic Biochemistry, 117 (2012):157-163,
https://doi.org/10.1016/j.jinorgbio.2012.09.002 . .
10
12
11

Preparation and characterization of zinc-exchanged montmorillonite and its effectiveness as aflatoxin B-1 adsorbent

Dakovic, Aleksandra; Kragović, Milan M.; Rottinghaus, George E.; Ledoux, David R.; Butkeraitis, Paula; Vojislavljevic, Dubravka Z.; Zarić, Snežana D.; Stamenić, Ljubisav

(2012)

TY  - JOUR
AU  - Dakovic, Aleksandra
AU  - Kragović, Milan M.
AU  - Rottinghaus, George E.
AU  - Ledoux, David R.
AU  - Butkeraitis, Paula
AU  - Vojislavljevic, Dubravka Z.
AU  - Zarić, Snežana D.
AU  - Stamenić, Ljubisav
PY  - 2012
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/4363
AB  - A zinc-exchanged montmorillonite (Zn-MONT) was prepared from a natural montmorillonite (MONT) and the adsorption of aflatoxin B-1 (AFB(1)) was investigated at pH 3 and 7. Characterization of Zn-MONT was done by determination of chemical composition, the point of the zero charge (pH(pzc)), thermal (DTA/TGA/DTG) and X-ray powder diffraction (XRPD) analysis. Adsorption of AFB(1) (C-0 = 4 ppm) by Zn-MONT, at different solid/liquid ratios (10, 1 and 0.5 g L-1), at pH 3 or 7, showed that its adsorption was high (over 96%) and independent of pH, similar to MONT. No desorption of AFB(1) from MONT-AFB(1) and Zn-MONT-AFB(1) complexes occurred at pH 6.5, suggesting strong binding of AFB(1) by both adsorbents. Furthermore, AFB(1) adsorption by Zn-MONT followed a nonlinear (Langmuir) type of isotherm at pH 3 with a calculated maximum capacity of 60.17 mg g(-1). The stability of MONT-AFB(1) and Zn-MONT-AFB(1) complexes was evaluated by calculating the binding energies between AFB(1) and metal cations using quantum chemical methods. The evaluated interaction energies of AFB(1) with hydrated Zn2+, Mg2+, and Ca2+ cations showed that the strongest interaction was the interaction of the Zn2+ system, -70.2 kcal mol(-1), whereas energies for Mg-2 and Ca2+ systems were -68.8 and -62.9 kcal mol(-1), respectively. The results indicate that Zn-MONT can be suitable for potential practical application as both, an antibacterial and an aflatoxin binding agent. (C) 2012 Elsevier B.V. All rights reserved.
T2  - Materials Chemistry and Physics
T1  - Preparation and characterization of zinc-exchanged montmorillonite and its effectiveness as aflatoxin B-1 adsorbent
VL  - 137
IS  - 1
SP  - 213
EP  - 220
DO  - 10.1016/j.matchemphys.2012.09.010
ER  - 
@article{
author = "Dakovic, Aleksandra and Kragović, Milan M. and Rottinghaus, George E. and Ledoux, David R. and Butkeraitis, Paula and Vojislavljevic, Dubravka Z. and Zarić, Snežana D. and Stamenić, Ljubisav",
year = "2012",
abstract = "A zinc-exchanged montmorillonite (Zn-MONT) was prepared from a natural montmorillonite (MONT) and the adsorption of aflatoxin B-1 (AFB(1)) was investigated at pH 3 and 7. Characterization of Zn-MONT was done by determination of chemical composition, the point of the zero charge (pH(pzc)), thermal (DTA/TGA/DTG) and X-ray powder diffraction (XRPD) analysis. Adsorption of AFB(1) (C-0 = 4 ppm) by Zn-MONT, at different solid/liquid ratios (10, 1 and 0.5 g L-1), at pH 3 or 7, showed that its adsorption was high (over 96%) and independent of pH, similar to MONT. No desorption of AFB(1) from MONT-AFB(1) and Zn-MONT-AFB(1) complexes occurred at pH 6.5, suggesting strong binding of AFB(1) by both adsorbents. Furthermore, AFB(1) adsorption by Zn-MONT followed a nonlinear (Langmuir) type of isotherm at pH 3 with a calculated maximum capacity of 60.17 mg g(-1). The stability of MONT-AFB(1) and Zn-MONT-AFB(1) complexes was evaluated by calculating the binding energies between AFB(1) and metal cations using quantum chemical methods. The evaluated interaction energies of AFB(1) with hydrated Zn2+, Mg2+, and Ca2+ cations showed that the strongest interaction was the interaction of the Zn2+ system, -70.2 kcal mol(-1), whereas energies for Mg-2 and Ca2+ systems were -68.8 and -62.9 kcal mol(-1), respectively. The results indicate that Zn-MONT can be suitable for potential practical application as both, an antibacterial and an aflatoxin binding agent. (C) 2012 Elsevier B.V. All rights reserved.",
journal = "Materials Chemistry and Physics",
title = "Preparation and characterization of zinc-exchanged montmorillonite and its effectiveness as aflatoxin B-1 adsorbent",
volume = "137",
number = "1",
pages = "213-220",
doi = "10.1016/j.matchemphys.2012.09.010"
}
Dakovic, A., Kragović, M. M., Rottinghaus, G. E., Ledoux, D. R., Butkeraitis, P., Vojislavljevic, D. Z., Zarić, S. D.,& Stamenić, L.. (2012). Preparation and characterization of zinc-exchanged montmorillonite and its effectiveness as aflatoxin B-1 adsorbent. in Materials Chemistry and Physics, 137(1), 213-220.
https://doi.org/10.1016/j.matchemphys.2012.09.010
Dakovic A, Kragović MM, Rottinghaus GE, Ledoux DR, Butkeraitis P, Vojislavljevic DZ, Zarić SD, Stamenić L. Preparation and characterization of zinc-exchanged montmorillonite and its effectiveness as aflatoxin B-1 adsorbent. in Materials Chemistry and Physics. 2012;137(1):213-220.
doi:10.1016/j.matchemphys.2012.09.010 .
Dakovic, Aleksandra, Kragović, Milan M., Rottinghaus, George E., Ledoux, David R., Butkeraitis, Paula, Vojislavljevic, Dubravka Z., Zarić, Snežana D., Stamenić, Ljubisav, "Preparation and characterization of zinc-exchanged montmorillonite and its effectiveness as aflatoxin B-1 adsorbent" in Materials Chemistry and Physics, 137, no. 1 (2012):213-220,
https://doi.org/10.1016/j.matchemphys.2012.09.010 . .
12
11
11

Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes

Sredojević, Dušan; Tomić, Zoran D.; Zarić, Snežana D.

(2010)

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2010
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/4091
AB  - Evidence of chelate-chelate stacking interactions was obtained by analyzing crystal structures of square-planar transition-metal complexes from the Cambridge Structural Database. The analysis showed that chelate-chelate stacking interactions occur in a large number of the crystal structures of neutral square-planar complexes. We found 955 structures with 1866 chelate-chelate stacking interactions. In most of the structures, dictate rings are fused with other chelate rings or with organic aromatic rings; however, chelate chelate stacking interactions of isolated rings were also found. In order to describe the geometry of the chelate-chelate stacking interactions, several geometric parameters were analyzed. In most of the interactions, two chelate rings are in parallel or antiparallel orientation. The normal distances are similar to the distances of stacking interactions observed in other systems, while the offset of two interacting chelate rings can be different from that observed in other systems.
T2  - Crystal Growth and Design
T1  - Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes
VL  - 10
IS  - 9
SP  - 3901
EP  - 3908
DO  - 10.1021/cg100312r
ER  - 
@article{
author = "Sredojević, Dušan and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2010",
abstract = "Evidence of chelate-chelate stacking interactions was obtained by analyzing crystal structures of square-planar transition-metal complexes from the Cambridge Structural Database. The analysis showed that chelate-chelate stacking interactions occur in a large number of the crystal structures of neutral square-planar complexes. We found 955 structures with 1866 chelate-chelate stacking interactions. In most of the structures, dictate rings are fused with other chelate rings or with organic aromatic rings; however, chelate chelate stacking interactions of isolated rings were also found. In order to describe the geometry of the chelate-chelate stacking interactions, several geometric parameters were analyzed. In most of the interactions, two chelate rings are in parallel or antiparallel orientation. The normal distances are similar to the distances of stacking interactions observed in other systems, while the offset of two interacting chelate rings can be different from that observed in other systems.",
journal = "Crystal Growth and Design",
title = "Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes",
volume = "10",
number = "9",
pages = "3901-3908",
doi = "10.1021/cg100312r"
}
Sredojević, D., Tomić, Z. D.,& Zarić, S. D.. (2010). Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes. in Crystal Growth and Design, 10(9), 3901-3908.
https://doi.org/10.1021/cg100312r
Sredojević D, Tomić ZD, Zarić SD. Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes. in Crystal Growth and Design. 2010;10(9):3901-3908.
doi:10.1021/cg100312r .
Sredojević, Dušan, Tomić, Zoran D., Zarić, Snežana D., "Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes" in Crystal Growth and Design, 10, no. 9 (2010):3901-3908,
https://doi.org/10.1021/cg100312r . .
78
81
83

Oxygen atom transfer catalysis: Ligand effects on the key reaction barrier in molybdenum (VI) dioxo systems

Keith, Jason M.; Tomić, Zoran D.; Zarić, Snežana D.; Hall, Michael B.

(2010)

TY  - JOUR
AU  - Keith, Jason M.
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
AU  - Hall, Michael B.
PY  - 2010
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/4019
AB  - Catalytic oxygen atom transfer (OAT), which frequently employs molybdenum oxo species, is an important reaction for both nature and industry. The mechanistic details of oxygen atom transfer from Tp(R)MoO(2)(XPh) to PMe(3) were investigated for R = 3-iPr and 3-Me and X=O and S by density functional theory (DFT) calculations of the enthalpies, free energy with solvent corrections, and natural bond orbital (NBO) analysis. The mechanism for both systems proceeds via rate-determining attack of PMe(3) to form a stable intermediate with a bound OPMe(3) ligand. From this intermediate the reaction proceeds through a substitution involving loss of OPMe(3) and coordination of a single CH(3)CN solvent molecule. The solvent corrected free energy barriers of the rate-determining OAT step for the O and S systems were found to be energetically more favorable for the S systems by 6.2 and 2.2 kcal/mol (for the R=3-iPr and 3-Me, respectively). This lower energy barrier is the result of better stabilization by the SPh ligand of the Mo(IV) products and the transition states, which are the unexpectedly later and more product-like. Additional examination of the NBO analysis emphasizes the role of the local acidity of the Mo and by extension the character of the ligands. The decreased electronegativity and softer character of the S atom result in an increased covalent character in the Mo-X bond which leads to the stabilization of a later (and lower energy) transition state and the corresponding product of the S system relative to O system. (C) 2010 Elsevier B.V. All rights reserved.
T2  - Journal of Molecular Catalysis. A: Chemical
T1  - Oxygen atom transfer catalysis: Ligand effects on the key reaction barrier in molybdenum (VI) dioxo systems
VL  - 324
IS  - 1-2
SP  - 15
EP  - 23
DO  - 10.1016/j.molcata.2010.02.027
ER  - 
@article{
author = "Keith, Jason M. and Tomić, Zoran D. and Zarić, Snežana D. and Hall, Michael B.",
year = "2010",
abstract = "Catalytic oxygen atom transfer (OAT), which frequently employs molybdenum oxo species, is an important reaction for both nature and industry. The mechanistic details of oxygen atom transfer from Tp(R)MoO(2)(XPh) to PMe(3) were investigated for R = 3-iPr and 3-Me and X=O and S by density functional theory (DFT) calculations of the enthalpies, free energy with solvent corrections, and natural bond orbital (NBO) analysis. The mechanism for both systems proceeds via rate-determining attack of PMe(3) to form a stable intermediate with a bound OPMe(3) ligand. From this intermediate the reaction proceeds through a substitution involving loss of OPMe(3) and coordination of a single CH(3)CN solvent molecule. The solvent corrected free energy barriers of the rate-determining OAT step for the O and S systems were found to be energetically more favorable for the S systems by 6.2 and 2.2 kcal/mol (for the R=3-iPr and 3-Me, respectively). This lower energy barrier is the result of better stabilization by the SPh ligand of the Mo(IV) products and the transition states, which are the unexpectedly later and more product-like. Additional examination of the NBO analysis emphasizes the role of the local acidity of the Mo and by extension the character of the ligands. The decreased electronegativity and softer character of the S atom result in an increased covalent character in the Mo-X bond which leads to the stabilization of a later (and lower energy) transition state and the corresponding product of the S system relative to O system. (C) 2010 Elsevier B.V. All rights reserved.",
journal = "Journal of Molecular Catalysis. A: Chemical",
title = "Oxygen atom transfer catalysis: Ligand effects on the key reaction barrier in molybdenum (VI) dioxo systems",
volume = "324",
number = "1-2",
pages = "15-23",
doi = "10.1016/j.molcata.2010.02.027"
}
Keith, J. M., Tomić, Z. D., Zarić, S. D.,& Hall, M. B.. (2010). Oxygen atom transfer catalysis: Ligand effects on the key reaction barrier in molybdenum (VI) dioxo systems. in Journal of Molecular Catalysis. A: Chemical, 324(1-2), 15-23.
https://doi.org/10.1016/j.molcata.2010.02.027
Keith JM, Tomić ZD, Zarić SD, Hall MB. Oxygen atom transfer catalysis: Ligand effects on the key reaction barrier in molybdenum (VI) dioxo systems. in Journal of Molecular Catalysis. A: Chemical. 2010;324(1-2):15-23.
doi:10.1016/j.molcata.2010.02.027 .
Keith, Jason M., Tomić, Zoran D., Zarić, Snežana D., Hall, Michael B., "Oxygen atom transfer catalysis: Ligand effects on the key reaction barrier in molybdenum (VI) dioxo systems" in Journal of Molecular Catalysis. A: Chemical, 324, no. 1-2 (2010):15-23,
https://doi.org/10.1016/j.molcata.2010.02.027 . .
11
10
10

Influence of natural zeolitic tuff and organozeolites surface charge on sorption of ionizable fumonisin B-1

Dakovic, Aleksandra; Kragović, Milan M.; Rottinghaus, George E.; Sekulic, Zivko; Milicevic, Sonja; Milonjić, Slobodan K.; Zarić, Snežana D.

(2010)

TY  - JOUR
AU  - Dakovic, Aleksandra
AU  - Kragović, Milan M.
AU  - Rottinghaus, George E.
AU  - Sekulic, Zivko
AU  - Milicevic, Sonja
AU  - Milonjić, Slobodan K.
AU  - Zarić, Snežana D.
PY  - 2010
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/3912
AB  - Natural Zeolitic tuff was modified with 2, 5 and 10 mmol M+/100 g of octadecyldimethylbenzyl ammonium (ODMBA) ions and the products were denoted as OZ-2, OZ-5 and OZ-10. The starting material and organozeolites were characterized by determination of the point of zero charge (pH(pzc)) and by thermal analysis. in vitro sorption of fumonisin B-1 (FB1) was studied for all sorbents at pH 3, 7 and 9. The pH(pzc) for the zeolitic tuff was 6.8 +/- 0.1, while the pH(pzc) for OZ-2, OZ-5 and OZ-10 pH(pzc) was 7.0 +/- 0.1. The curves pH(final) = f(pH(initial)) suggest that the surfaces of all sorbents are positively charged at pH 3 and uncharged at pH 7 and 9. High sorption of FB1 by the zeolitic tuff in acidic solution Suggests electrostatic Interactions between the anionic FB1 and the positively charged surface. At pH 7 and 9, adsorption of FB1 is prevented because anionic FB1 cannot be adsorbed at the uncharged surface. From the pH(pzc) for the organozeolites, it is possible that with lower amounts of ODMBA (OZ-2 and OZ-5), at pH 3, beside interactions between head groups of ODMBA and its alkyl chains and anionic FB1, electrostatic interactions between positive uncovered surface and anionic FB1 contribute to the sorption, while at pH 7 and 9 there is only the possibility for interactions between FB1 and ODMBA. When the zeolitic surface was completely covered with ODMBA (OZ-10), FB1 sorption was independent of the form of FB1 suggesting only interactions between ODMBA and FB1. (C) 2009 Elsevier B.V. All rights reserved.
T2  - Colloids and Surfaces. B: Biointerfaces
T1  - Influence of natural zeolitic tuff and organozeolites surface charge on sorption of ionizable fumonisin B-1
VL  - 76
IS  - 1
SP  - 272
EP  - 278
DO  - 10.1016/j.colsurfb.2009.11.003
ER  - 
@article{
author = "Dakovic, Aleksandra and Kragović, Milan M. and Rottinghaus, George E. and Sekulic, Zivko and Milicevic, Sonja and Milonjić, Slobodan K. and Zarić, Snežana D.",
year = "2010",
abstract = "Natural Zeolitic tuff was modified with 2, 5 and 10 mmol M+/100 g of octadecyldimethylbenzyl ammonium (ODMBA) ions and the products were denoted as OZ-2, OZ-5 and OZ-10. The starting material and organozeolites were characterized by determination of the point of zero charge (pH(pzc)) and by thermal analysis. in vitro sorption of fumonisin B-1 (FB1) was studied for all sorbents at pH 3, 7 and 9. The pH(pzc) for the zeolitic tuff was 6.8 +/- 0.1, while the pH(pzc) for OZ-2, OZ-5 and OZ-10 pH(pzc) was 7.0 +/- 0.1. The curves pH(final) = f(pH(initial)) suggest that the surfaces of all sorbents are positively charged at pH 3 and uncharged at pH 7 and 9. High sorption of FB1 by the zeolitic tuff in acidic solution Suggests electrostatic Interactions between the anionic FB1 and the positively charged surface. At pH 7 and 9, adsorption of FB1 is prevented because anionic FB1 cannot be adsorbed at the uncharged surface. From the pH(pzc) for the organozeolites, it is possible that with lower amounts of ODMBA (OZ-2 and OZ-5), at pH 3, beside interactions between head groups of ODMBA and its alkyl chains and anionic FB1, electrostatic interactions between positive uncovered surface and anionic FB1 contribute to the sorption, while at pH 7 and 9 there is only the possibility for interactions between FB1 and ODMBA. When the zeolitic surface was completely covered with ODMBA (OZ-10), FB1 sorption was independent of the form of FB1 suggesting only interactions between ODMBA and FB1. (C) 2009 Elsevier B.V. All rights reserved.",
journal = "Colloids and Surfaces. B: Biointerfaces",
title = "Influence of natural zeolitic tuff and organozeolites surface charge on sorption of ionizable fumonisin B-1",
volume = "76",
number = "1",
pages = "272-278",
doi = "10.1016/j.colsurfb.2009.11.003"
}
Dakovic, A., Kragović, M. M., Rottinghaus, G. E., Sekulic, Z., Milicevic, S., Milonjić, S. K.,& Zarić, S. D.. (2010). Influence of natural zeolitic tuff and organozeolites surface charge on sorption of ionizable fumonisin B-1. in Colloids and Surfaces. B: Biointerfaces, 76(1), 272-278.
https://doi.org/10.1016/j.colsurfb.2009.11.003
Dakovic A, Kragović MM, Rottinghaus GE, Sekulic Z, Milicevic S, Milonjić SK, Zarić SD. Influence of natural zeolitic tuff and organozeolites surface charge on sorption of ionizable fumonisin B-1. in Colloids and Surfaces. B: Biointerfaces. 2010;76(1):272-278.
doi:10.1016/j.colsurfb.2009.11.003 .
Dakovic, Aleksandra, Kragović, Milan M., Rottinghaus, George E., Sekulic, Zivko, Milicevic, Sonja, Milonjić, Slobodan K., Zarić, Snežana D., "Influence of natural zeolitic tuff and organozeolites surface charge on sorption of ionizable fumonisin B-1" in Colloids and Surfaces. B: Biointerfaces, 76, no. 1 (2010):272-278,
https://doi.org/10.1016/j.colsurfb.2009.11.003 . .
20
20
23

Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes

Sredojević, Dušan; Bogdanović, Goran A.; Tomić, Zoran D.; Zarić, Snežana D.

(2007)

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Bogdanović, Goran A.
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2007
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/3272
AB  - The crystal structures of square-planar transition-metal complexes from the Cambridge Structural Database (CSD) with close contacts between planar chelate rings and aryl rings containing six carbon atoms (C-6- aryl) were analyzed. Most of the chelate rings in these structures are fused with aromatic or other pi-delocalized chelate rings. The results show that planar chelate rings can be involved in stacking and CH-pi interactions with organic aryl rings. However, the number of stacking interactions is a few times larger than the number of CH-pi interactions. The analysis also shows that in almost all cases CH-pi interactions are formed only when stacking interactions are prevented by voluminous substituents. Hence, between planar chelate rings and C-6- aryl rings stacking interactions are preferred to CH-pi interactions.
T2  - CrystEngComm
T1  - Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes
VL  - 9
IS  - 9
SP  - 793
EP  - 798
DO  - 10.1039/b704302c
ER  - 
@article{
author = "Sredojević, Dušan and Bogdanović, Goran A. and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2007",
abstract = "The crystal structures of square-planar transition-metal complexes from the Cambridge Structural Database (CSD) with close contacts between planar chelate rings and aryl rings containing six carbon atoms (C-6- aryl) were analyzed. Most of the chelate rings in these structures are fused with aromatic or other pi-delocalized chelate rings. The results show that planar chelate rings can be involved in stacking and CH-pi interactions with organic aryl rings. However, the number of stacking interactions is a few times larger than the number of CH-pi interactions. The analysis also shows that in almost all cases CH-pi interactions are formed only when stacking interactions are prevented by voluminous substituents. Hence, between planar chelate rings and C-6- aryl rings stacking interactions are preferred to CH-pi interactions.",
journal = "CrystEngComm",
title = "Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes",
volume = "9",
number = "9",
pages = "793-798",
doi = "10.1039/b704302c"
}
Sredojević, D., Bogdanović, G. A., Tomić, Z. D.,& Zarić, S. D.. (2007). Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes. in CrystEngComm, 9(9), 793-798.
https://doi.org/10.1039/b704302c
Sredojević D, Bogdanović GA, Tomić ZD, Zarić SD. Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes. in CrystEngComm. 2007;9(9):793-798.
doi:10.1039/b704302c .
Sredojević, Dušan, Bogdanović, Goran A., Tomić, Zoran D., Zarić, Snežana D., "Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes" in CrystEngComm, 9, no. 9 (2007):793-798,
https://doi.org/10.1039/b704302c . .
59
58
62

Comparison of structural features of three new cis-dioxomolybdenum(VI) complexes with 2-hydroxy-1-naphthaldehyde-S-methylisothiosemicarbazone: Possible role of intermolecular interactions on the geometry of the cis-MoO(2) unit

Tomić, Zoran D.; Kapor, Agneš; Zmiric, Aleksandra; Leovac, Vukadin M.; Zobel, Dieter; Zarić, Snežana D.

(2007)

TY  - JOUR
AU  - Tomić, Zoran D.
AU  - Kapor, Agneš
AU  - Zmiric, Aleksandra
AU  - Leovac, Vukadin M.
AU  - Zobel, Dieter
AU  - Zarić, Snežana D.
PY  - 2007
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/3194
AB  - Three closely related [MoO(2)(L)(ML)] complexes, where L is the 2-hydroxy-1-naphthaldehyde-S-methylisothiosemicarbazone ligand, and ML is EtOH (I), Py (II) and DMSO (III), were synthesized, characterized by NMR and IR spectra, and their X-ray crystal structures were determined. The crystal structure properties of these three closely related complexes were compared. Two cis-Mo-O bond lengths were almost the same in the crystal structure of complexes II and III, while in complex I a significant difference between the two cis-Mo-O bond lengths was observed. At the same time, the geometry of L ligand in complex I is different, compared to II and III. DFT calculations on the isolated molecule I, as well as geometrical analysis of the complexes indicate that intramolecular interactions are not responsible for these structural differences. On the other hand, the pattern of intermolecular contacts in the crystal structure of I differs from those observed in II and III. Analyses indicate that differences in cis-Mo-O bond lengths and in the geometry of ligand L could be related to intermolecular interactions. These results suggest the possibility that in enzymes oxotransferases or in their model systems, the Mo-O bond length could be designed by the interactions of chelate ligands with the surroundings. (C) 2006 Elsevier B.V. All rights reserved.
T2  - Inorganica Chimica Acta
T1  - Comparison of structural features of three new cis-dioxomolybdenum(VI) complexes with 2-hydroxy-1-naphthaldehyde-S-methylisothiosemicarbazone: Possible role of intermolecular interactions on the geometry of the cis-MoO(2) unit
VL  - 360
IS  - 7
SP  - 2197
EP  - 2206
DO  - 10.1016/j.ica.2006.10.026
ER  - 
@article{
author = "Tomić, Zoran D. and Kapor, Agneš and Zmiric, Aleksandra and Leovac, Vukadin M. and Zobel, Dieter and Zarić, Snežana D.",
year = "2007",
abstract = "Three closely related [MoO(2)(L)(ML)] complexes, where L is the 2-hydroxy-1-naphthaldehyde-S-methylisothiosemicarbazone ligand, and ML is EtOH (I), Py (II) and DMSO (III), were synthesized, characterized by NMR and IR spectra, and their X-ray crystal structures were determined. The crystal structure properties of these three closely related complexes were compared. Two cis-Mo-O bond lengths were almost the same in the crystal structure of complexes II and III, while in complex I a significant difference between the two cis-Mo-O bond lengths was observed. At the same time, the geometry of L ligand in complex I is different, compared to II and III. DFT calculations on the isolated molecule I, as well as geometrical analysis of the complexes indicate that intramolecular interactions are not responsible for these structural differences. On the other hand, the pattern of intermolecular contacts in the crystal structure of I differs from those observed in II and III. Analyses indicate that differences in cis-Mo-O bond lengths and in the geometry of ligand L could be related to intermolecular interactions. These results suggest the possibility that in enzymes oxotransferases or in their model systems, the Mo-O bond length could be designed by the interactions of chelate ligands with the surroundings. (C) 2006 Elsevier B.V. All rights reserved.",
journal = "Inorganica Chimica Acta",
title = "Comparison of structural features of three new cis-dioxomolybdenum(VI) complexes with 2-hydroxy-1-naphthaldehyde-S-methylisothiosemicarbazone: Possible role of intermolecular interactions on the geometry of the cis-MoO(2) unit",
volume = "360",
number = "7",
pages = "2197-2206",
doi = "10.1016/j.ica.2006.10.026"
}
Tomić, Z. D., Kapor, A., Zmiric, A., Leovac, V. M., Zobel, D.,& Zarić, S. D.. (2007). Comparison of structural features of three new cis-dioxomolybdenum(VI) complexes with 2-hydroxy-1-naphthaldehyde-S-methylisothiosemicarbazone: Possible role of intermolecular interactions on the geometry of the cis-MoO(2) unit. in Inorganica Chimica Acta, 360(7), 2197-2206.
https://doi.org/10.1016/j.ica.2006.10.026
Tomić ZD, Kapor A, Zmiric A, Leovac VM, Zobel D, Zarić SD. Comparison of structural features of three new cis-dioxomolybdenum(VI) complexes with 2-hydroxy-1-naphthaldehyde-S-methylisothiosemicarbazone: Possible role of intermolecular interactions on the geometry of the cis-MoO(2) unit. in Inorganica Chimica Acta. 2007;360(7):2197-2206.
doi:10.1016/j.ica.2006.10.026 .
Tomić, Zoran D., Kapor, Agneš, Zmiric, Aleksandra, Leovac, Vukadin M., Zobel, Dieter, Zarić, Snežana D., "Comparison of structural features of three new cis-dioxomolybdenum(VI) complexes with 2-hydroxy-1-naphthaldehyde-S-methylisothiosemicarbazone: Possible role of intermolecular interactions on the geometry of the cis-MoO(2) unit" in Inorganica Chimica Acta, 360, no. 7 (2007):2197-2206,
https://doi.org/10.1016/j.ica.2006.10.026 . .
22
25
25

Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes

Sredojević, Dušan; Tomić, Zoran D.; Zarić, Snežana D.

(2007)

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2007
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/3147
AB  - In order to find out whether metal type influences the stacking interactions of phenyl rings in square-planar complexes, geometrical parameters for Cu, Ni, Pd and Pt complexes, with and without chelate rings, were analyzed and compared. By searching the Cambridge Structural Database, 220 structures with Cu complexes, 211 with Ni complexes, 285 with Pd complexes, and 220 with Pt complexes were found. The results show that the chelate ring has a tendency to make the stacking interaction with the phenyl ring independent of metal type in the chelate ring. However, there are some differences among metals for complexes without a chelate ring. There are a number of structures containing Pd and Pt complexes, without chelate rings, that have short carbon-metal distances and parallel orientations of the phenyl ring with respect to the coordination plane. It was found that some of these complexes have a common fragment, CN, as a part of the ligands. This indicates that the CN supports stacking interactions of square planar complexes with the phenyl ring. (C) Versita Warsaw and Springer-Verlag Berlin Heidelberg. All rights reserved.
T2  - Central European Journal of Chemistry
T1  - Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes
VL  - 5
IS  - 1
SP  - 20
EP  - 31
DO  - 10.2478/s11532-006-0068-3
ER  - 
@article{
author = "Sredojević, Dušan and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2007",
abstract = "In order to find out whether metal type influences the stacking interactions of phenyl rings in square-planar complexes, geometrical parameters for Cu, Ni, Pd and Pt complexes, with and without chelate rings, were analyzed and compared. By searching the Cambridge Structural Database, 220 structures with Cu complexes, 211 with Ni complexes, 285 with Pd complexes, and 220 with Pt complexes were found. The results show that the chelate ring has a tendency to make the stacking interaction with the phenyl ring independent of metal type in the chelate ring. However, there are some differences among metals for complexes without a chelate ring. There are a number of structures containing Pd and Pt complexes, without chelate rings, that have short carbon-metal distances and parallel orientations of the phenyl ring with respect to the coordination plane. It was found that some of these complexes have a common fragment, CN, as a part of the ligands. This indicates that the CN supports stacking interactions of square planar complexes with the phenyl ring. (C) Versita Warsaw and Springer-Verlag Berlin Heidelberg. All rights reserved.",
journal = "Central European Journal of Chemistry",
title = "Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes",
volume = "5",
number = "1",
pages = "20-31",
doi = "10.2478/s11532-006-0068-3"
}
Sredojević, D., Tomić, Z. D.,& Zarić, S. D.. (2007). Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes. in Central European Journal of Chemistry, 5(1), 20-31.
https://doi.org/10.2478/s11532-006-0068-3
Sredojević D, Tomić ZD, Zarić SD. Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes. in Central European Journal of Chemistry. 2007;5(1):20-31.
doi:10.2478/s11532-006-0068-3 .
Sredojević, Dušan, Tomić, Zoran D., Zarić, Snežana D., "Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes" in Central European Journal of Chemistry, 5, no. 1 (2007):20-31,
https://doi.org/10.2478/s11532-006-0068-3 . .
20
23
24

Stacking interactions between chelate and phenyl rings in square-planar complexes of Cu, Ni, Pt and Pd

Sredojević, Dušan; Tomić, Zoran D.; Zarić, Snežana D.

(Society of Physical Chemists of Serbia, 2006)

TY  - CONF
AU  - Sredojević, Dušan
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2006
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9471
AB  - Previous analysis of geometrical parameters in the crystal structure of square-planar complexes, with and without chelate rings, of all transition metals from Cambridge Structural Database shows that there are stacking interactions between the phenyl ring and the chelate ring with delocalized -bonds. To investigate whether the type of metal atom influence this interaction we compare stacking parameters for the complexes with and without chelate rings in the complexes containing Cu(II), Ni(II), Pd(II) and Pt(II) metals. While the overall picture is similar for all four cases, complexes of Pd and Pt without chelate ring show tendency to form shorter contacts towards aromatic carbon. It was found that this behaviour is associated with the presence of cyano or isocyano derivatives as ligands.
PB  - Society of Physical Chemists of Serbia
C3  - Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry
T1  - Stacking interactions between chelate and phenyl rings in square-planar complexes of Cu, Ni, Pt and Pd
SP  - 692
EP  - 694
ER  - 
@conference{
author = "Sredojević, Dušan and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2006",
abstract = "Previous analysis of geometrical parameters in the crystal structure of square-planar complexes, with and without chelate rings, of all transition metals from Cambridge Structural Database shows that there are stacking interactions between the phenyl ring and the chelate ring with delocalized -bonds. To investigate whether the type of metal atom influence this interaction we compare stacking parameters for the complexes with and without chelate rings in the complexes containing Cu(II), Ni(II), Pd(II) and Pt(II) metals. While the overall picture is similar for all four cases, complexes of Pd and Pt without chelate ring show tendency to form shorter contacts towards aromatic carbon. It was found that this behaviour is associated with the presence of cyano or isocyano derivatives as ligands.",
publisher = "Society of Physical Chemists of Serbia",
journal = "Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry",
title = "Stacking interactions between chelate and phenyl rings in square-planar complexes of Cu, Ni, Pt and Pd",
pages = "692-694"
}
Sredojević, D., Tomić, Z. D.,& Zarić, S. D.. (2006). Stacking interactions between chelate and phenyl rings in square-planar complexes of Cu, Ni, Pt and Pd. in Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry
Society of Physical Chemists of Serbia., 692-694.
Sredojević D, Tomić ZD, Zarić SD. Stacking interactions between chelate and phenyl rings in square-planar complexes of Cu, Ni, Pt and Pd. in Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry. 2006;:692-694..
Sredojević, Dušan, Tomić, Zoran D., Zarić, Snežana D., "Stacking interactions between chelate and phenyl rings in square-planar complexes of Cu, Ni, Pt and Pd" in Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry (2006):692-694.

Multi-pi,pi stacked interaction between planar chelate rings in the crystal structure of dichloro(2-hydroxy-1-naphtaldehyde-3-methylisothlosemicarbazonato)iron(III) hemiethanol solvate

Tomić, Zoran D.; Leovac, Vukadin M.; Jacimovic, Z. K.; Giester, Gerald; Zarić, Snežana D.

(2006)

TY  - JOUR
AU  - Tomić, Zoran D.
AU  - Leovac, Vukadin M.
AU  - Jacimovic, Z. K.
AU  - Giester, Gerald
AU  - Zarić, Snežana D.
PY  - 2006
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/3053
AB  - Dichloro(2-hydroxy-1-naphtaldehyde-3-methylisothio semicarbazonato) iron(III) contains structural fragments capable for formation of hydrogen bonds and it stacking interactions. The analysis of intermolecular interactions in the crystal structure indicates the significance of a unique multistacked pi, pi interaction between five and six membered chelate rings of adjacent molecules in chains extended along the b axis. (C) 2006 Elsevier B.V. All rights reserved.
T2  - Inorganic Chemistry Communications
T1  - Multi-pi,pi stacked interaction between planar chelate rings in the crystal structure of dichloro(2-hydroxy-1-naphtaldehyde-3-methylisothlosemicarbazonato)iron(III) hemiethanol solvate
VL  - 9
IS  - 8
SP  - 833
EP  - 835
DO  - 10.1016/j.inoche.2006.04.030
ER  - 
@article{
author = "Tomić, Zoran D. and Leovac, Vukadin M. and Jacimovic, Z. K. and Giester, Gerald and Zarić, Snežana D.",
year = "2006",
abstract = "Dichloro(2-hydroxy-1-naphtaldehyde-3-methylisothio semicarbazonato) iron(III) contains structural fragments capable for formation of hydrogen bonds and it stacking interactions. The analysis of intermolecular interactions in the crystal structure indicates the significance of a unique multistacked pi, pi interaction between five and six membered chelate rings of adjacent molecules in chains extended along the b axis. (C) 2006 Elsevier B.V. All rights reserved.",
journal = "Inorganic Chemistry Communications",
title = "Multi-pi,pi stacked interaction between planar chelate rings in the crystal structure of dichloro(2-hydroxy-1-naphtaldehyde-3-methylisothlosemicarbazonato)iron(III) hemiethanol solvate",
volume = "9",
number = "8",
pages = "833-835",
doi = "10.1016/j.inoche.2006.04.030"
}
Tomić, Z. D., Leovac, V. M., Jacimovic, Z. K., Giester, G.,& Zarić, S. D.. (2006). Multi-pi,pi stacked interaction between planar chelate rings in the crystal structure of dichloro(2-hydroxy-1-naphtaldehyde-3-methylisothlosemicarbazonato)iron(III) hemiethanol solvate. in Inorganic Chemistry Communications, 9(8), 833-835.
https://doi.org/10.1016/j.inoche.2006.04.030
Tomić ZD, Leovac VM, Jacimovic ZK, Giester G, Zarić SD. Multi-pi,pi stacked interaction between planar chelate rings in the crystal structure of dichloro(2-hydroxy-1-naphtaldehyde-3-methylisothlosemicarbazonato)iron(III) hemiethanol solvate. in Inorganic Chemistry Communications. 2006;9(8):833-835.
doi:10.1016/j.inoche.2006.04.030 .
Tomić, Zoran D., Leovac, Vukadin M., Jacimovic, Z. K., Giester, Gerald, Zarić, Snežana D., "Multi-pi,pi stacked interaction between planar chelate rings in the crystal structure of dichloro(2-hydroxy-1-naphtaldehyde-3-methylisothlosemicarbazonato)iron(III) hemiethanol solvate" in Inorganic Chemistry Communications, 9, no. 8 (2006):833-835,
https://doi.org/10.1016/j.inoche.2006.04.030 . .
11
11
12

Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes

Tomić, Zoran D.; Sredojević, Dušan; Zarić, Snežana D.

(2006)

TY  - JOUR
AU  - Tomić, Zoran D.
AU  - Sredojević, Dušan
AU  - Zarić, Snežana D.
PY  - 2006
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/2565
AB  - Analysis of geometrical parameters in the crystal structure of square-planar complexes, with and without chelate rings, of all transition metals from Cambridge Structural Database shows that there are stacking interactions between the phenyl ring and the chelate ring with delocalized pi-bonds. Short distances between the metal and carbon atom of the phenyl ring and parallel orientation of phenyl ring with respect to the coordination plane were found in the crystal strucutres of complexes with chelate rings. There is a correlation of the distances between the centers of chelate and phenyl rings and the metal-carbon distances showing that the chelate and phenyl rings tend to overlap. In the crystal structures, there are mutual slipped-parallel orientations of the phenyl and chelate rings. The data show that the geometry of the stacking interaction between phenyl and chelate rings is similar to the geometry of the stacking interaction of two benzene rings, indicating that chelate rings can behave similarly to organic aromatic rings.
T2  - Crystal Growth and Design
T1  - Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes
VL  - 6
IS  - 1
SP  - 29
EP  - 31
DO  - 10.1021/cg050392r
ER  - 
@article{
author = "Tomić, Zoran D. and Sredojević, Dušan and Zarić, Snežana D.",
year = "2006",
abstract = "Analysis of geometrical parameters in the crystal structure of square-planar complexes, with and without chelate rings, of all transition metals from Cambridge Structural Database shows that there are stacking interactions between the phenyl ring and the chelate ring with delocalized pi-bonds. Short distances between the metal and carbon atom of the phenyl ring and parallel orientation of phenyl ring with respect to the coordination plane were found in the crystal strucutres of complexes with chelate rings. There is a correlation of the distances between the centers of chelate and phenyl rings and the metal-carbon distances showing that the chelate and phenyl rings tend to overlap. In the crystal structures, there are mutual slipped-parallel orientations of the phenyl and chelate rings. The data show that the geometry of the stacking interaction between phenyl and chelate rings is similar to the geometry of the stacking interaction of two benzene rings, indicating that chelate rings can behave similarly to organic aromatic rings.",
journal = "Crystal Growth and Design",
title = "Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes",
volume = "6",
number = "1",
pages = "29-31",
doi = "10.1021/cg050392r"
}
Tomić, Z. D., Sredojević, D.,& Zarić, S. D.. (2006). Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes. in Crystal Growth and Design, 6(1), 29-31.
https://doi.org/10.1021/cg050392r
Tomić ZD, Sredojević D, Zarić SD. Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes. in Crystal Growth and Design. 2006;6(1):29-31.
doi:10.1021/cg050392r .
Tomić, Zoran D., Sredojević, Dušan, Zarić, Snežana D., "Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes" in Crystal Growth and Design, 6, no. 1 (2006):29-31,
https://doi.org/10.1021/cg050392r . .
78
80
80

Comparison of two views regarding the nature of the X-H…phenyl interaction

Tomić, Zoran D.; Novaković, Slađana B.; Zarić, Snežana D.

(Society of Physical Chemists of Serbia, 2004)

TY  - CONF
AU  - Tomić, Zoran D.
AU  - Novaković, Slađana B.
AU  - Zarić, Snežana D.
PY  - 2004
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9598
AB  - There are two approaches in the analysis of the nature of the X-H…phenyl interactions. One is based on the assumption that atoms, bonds and the π plane belonging to the phenyl ring, are the points which can be involved in the interaction. The other states that center of the phenyl ring is the point acceptor. In this paper we compare two views using the directionality of the X-H vector and length/angle correlations relative to both assumed point acceptors. The results suggest that on the basis of this methodology there is no clear answer regarding the nature of the acceptor site in the phenyl ring.
PB  - Society of Physical Chemists of Serbia
C3  - Physical chemistry 2004: 7th international conference on fundemental and applied aspract of physical chemistry
T1  - Comparison of two views regarding the nature of the X-H…phenyl interaction
VL  - 2
SP  - 769
EP  - 771
ER  - 
@conference{
author = "Tomić, Zoran D. and Novaković, Slađana B. and Zarić, Snežana D.",
year = "2004",
abstract = "There are two approaches in the analysis of the nature of the X-H…phenyl interactions. One is based on the assumption that atoms, bonds and the π plane belonging to the phenyl ring, are the points which can be involved in the interaction. The other states that center of the phenyl ring is the point acceptor. In this paper we compare two views using the directionality of the X-H vector and length/angle correlations relative to both assumed point acceptors. The results suggest that on the basis of this methodology there is no clear answer regarding the nature of the acceptor site in the phenyl ring.",
publisher = "Society of Physical Chemists of Serbia",
journal = "Physical chemistry 2004: 7th international conference on fundemental and applied aspract of physical chemistry",
title = "Comparison of two views regarding the nature of the X-H…phenyl interaction",
volume = "2",
pages = "769-771"
}
Tomić, Z. D., Novaković, S. B.,& Zarić, S. D.. (2004). Comparison of two views regarding the nature of the X-H…phenyl interaction. in Physical chemistry 2004: 7th international conference on fundemental and applied aspract of physical chemistry
Society of Physical Chemists of Serbia., 2, 769-771.
Tomić ZD, Novaković SB, Zarić SD. Comparison of two views regarding the nature of the X-H…phenyl interaction. in Physical chemistry 2004: 7th international conference on fundemental and applied aspract of physical chemistry. 2004;2:769-771..
Tomić, Zoran D., Novaković, Slađana B., Zarić, Snežana D., "Comparison of two views regarding the nature of the X-H…phenyl interaction" in Physical chemistry 2004: 7th international conference on fundemental and applied aspract of physical chemistry, 2 (2004):769-771.

C − H···π interactions in the metal-porphyrin complexes with chelate ring as the h acceptor

Medaković, Vesna B.; Milčić, Miloš K.; Zarić, Snežana D.

(Society of Physical Chemists of Serbia, 2004)

TY  - CONF
AU  - Medaković, Vesna B.
AU  - Milčić, Miloš K.
AU  - Zarić, Snežana D.
PY  - 2004
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9597
AB  - Specific C − H···π interactions with the π-system of porphyrinato chelate ring were found in crystal structures of transition metal complexes from the CSD and statistical analysis of geometrical parameters for intramolecular and intermolecular interactions was done. DFT calculations on a model system show that energy of the interaction is 1.58 kcal/mol and that the strongest interaction occurs when the distance between hydrogen atom and the center of the chelate ring is 2.6 Å. This prediction is in good agreement with the distances for intermolecular interactions found in the crystal structures. In many cases the intramolecular interaction distances are much shorter than 2.6 Å, and these short distances appear to be caused by geometrical constrains. The C − H···π interactions with chelate ring of porphyrinato ligand can be important in biomolecules with porphyrin as they can influence the structure, contribute to the stability and play some role in function of biomolecules.
PB  - Society of Physical Chemists of Serbia
C3  - Physical chemistry 2004: 7th international conference on fundemental and applied aspract of physical chemistry
T1  - C − H···π interactions in the metal-porphyrin complexes with chelate ring as the h acceptor
VL  - 2
SP  - 763
EP  - 765
ER  - 
@conference{
author = "Medaković, Vesna B. and Milčić, Miloš K. and Zarić, Snežana D.",
year = "2004",
abstract = "Specific C − H···π interactions with the π-system of porphyrinato chelate ring were found in crystal structures of transition metal complexes from the CSD and statistical analysis of geometrical parameters for intramolecular and intermolecular interactions was done. DFT calculations on a model system show that energy of the interaction is 1.58 kcal/mol and that the strongest interaction occurs when the distance between hydrogen atom and the center of the chelate ring is 2.6 Å. This prediction is in good agreement with the distances for intermolecular interactions found in the crystal structures. In many cases the intramolecular interaction distances are much shorter than 2.6 Å, and these short distances appear to be caused by geometrical constrains. The C − H···π interactions with chelate ring of porphyrinato ligand can be important in biomolecules with porphyrin as they can influence the structure, contribute to the stability and play some role in function of biomolecules.",
publisher = "Society of Physical Chemists of Serbia",
journal = "Physical chemistry 2004: 7th international conference on fundemental and applied aspract of physical chemistry",
title = "C − H···π interactions in the metal-porphyrin complexes with chelate ring as the h acceptor",
volume = "2",
pages = "763-765"
}
Medaković, V. B., Milčić, M. K.,& Zarić, S. D.. (2004). C − H···π interactions in the metal-porphyrin complexes with chelate ring as the h acceptor. in Physical chemistry 2004: 7th international conference on fundemental and applied aspract of physical chemistry
Society of Physical Chemists of Serbia., 2, 763-765.
Medaković VB, Milčić MK, Zarić SD. C − H···π interactions in the metal-porphyrin complexes with chelate ring as the h acceptor. in Physical chemistry 2004: 7th international conference on fundemental and applied aspract of physical chemistry. 2004;2:763-765..
Medaković, Vesna B., Milčić, Miloš K., Zarić, Snežana D., "C − H···π interactions in the metal-porphyrin complexes with chelate ring as the h acceptor" in Physical chemistry 2004: 7th international conference on fundemental and applied aspract of physical chemistry, 2 (2004):763-765.

Very strong metal ligand aromatic cation-pi interactions in transition metal complexes: intermolecular interaction in tetraphenylborate salts

Milčić, Miloš K.; Tomić, Zoran D.; Zarić, Snežana D.

(2004)

TY  - JOUR
AU  - Milčić, Miloš K.
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2004
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/2831
AB  - Strong intermolecular interactions between ligands in cationic metal complexes and aromatic rings of tetraphenylborate anion, so-called metal ligand aromatic cation-pi (MLACpi) interactions, were found by screening Cambridge Structural Database. Distances between phenyl ring and ligand are shorter in these structures than in previously reported MLACpi interactions by 0.2 Angstrom. (C) 2004 Elsevier B.V. All rights reserved.
T2  - Inorganica Chimica Acta
T1  - Very strong metal ligand aromatic cation-pi interactions in transition metal complexes: intermolecular interaction in tetraphenylborate salts
VL  - 357
IS  - 14
SP  - 4327
EP  - 4329
DO  - 10.1016/j.ica.2004.06.019
ER  - 
@article{
author = "Milčić, Miloš K. and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2004",
abstract = "Strong intermolecular interactions between ligands in cationic metal complexes and aromatic rings of tetraphenylborate anion, so-called metal ligand aromatic cation-pi (MLACpi) interactions, were found by screening Cambridge Structural Database. Distances between phenyl ring and ligand are shorter in these structures than in previously reported MLACpi interactions by 0.2 Angstrom. (C) 2004 Elsevier B.V. All rights reserved.",
journal = "Inorganica Chimica Acta",
title = "Very strong metal ligand aromatic cation-pi interactions in transition metal complexes: intermolecular interaction in tetraphenylborate salts",
volume = "357",
number = "14",
pages = "4327-4329",
doi = "10.1016/j.ica.2004.06.019"
}
Milčić, M. K., Tomić, Z. D.,& Zarić, S. D.. (2004). Very strong metal ligand aromatic cation-pi interactions in transition metal complexes: intermolecular interaction in tetraphenylborate salts. in Inorganica Chimica Acta, 357(14), 4327-4329.
https://doi.org/10.1016/j.ica.2004.06.019
Milčić MK, Tomić ZD, Zarić SD. Very strong metal ligand aromatic cation-pi interactions in transition metal complexes: intermolecular interaction in tetraphenylborate salts. in Inorganica Chimica Acta. 2004;357(14):4327-4329.
doi:10.1016/j.ica.2004.06.019 .
Milčić, Miloš K., Tomić, Zoran D., Zarić, Snežana D., "Very strong metal ligand aromatic cation-pi interactions in transition metal complexes: intermolecular interaction in tetraphenylborate salts" in Inorganica Chimica Acta, 357, no. 14 (2004):4327-4329,
https://doi.org/10.1016/j.ica.2004.06.019 . .
20
20
23

Intermolecular interactions between chelate rings and phenyl rings in square-planar copper(II) complexes

Tomić, Zoran D.; Novaković, Slađana B.; Zarić, Snežana D.

(2004)

TY  - JOUR
AU  - Tomić, Zoran D.
AU  - Novaković, Slađana B.
AU  - Zarić, Snežana D.
PY  - 2004
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/2775
AB  - Analysis of the geometrical parameters in crystal structures of square-planar copper(II) complexes from the CSD shows that the short noncovalent copper (II)-phenyl carbon distances are a consequence of the interaction between the phenyl ring and the chelate ring with delocalized pi-bonds. The data show a correlation between the distances between the centers of the chelate and phenyl rings and the copper(II)-carbon distances, as well as a mutual slipped-parallel orientation of the phenyl and chelate rings. ((C) Wiley-VCH Verlag GmbH and Co. KGaA, 69451 Weinheim, Germany, 2004).
T2  - European Journal of Inorganic Chemistry
T1  - Intermolecular interactions between chelate rings and phenyl rings in square-planar copper(II) complexes
IS  - 11
SP  - 2215
EP  - 2218
DO  - 10.1002/ejic.200400086
ER  - 
@article{
author = "Tomić, Zoran D. and Novaković, Slađana B. and Zarić, Snežana D.",
year = "2004",
abstract = "Analysis of the geometrical parameters in crystal structures of square-planar copper(II) complexes from the CSD shows that the short noncovalent copper (II)-phenyl carbon distances are a consequence of the interaction between the phenyl ring and the chelate ring with delocalized pi-bonds. The data show a correlation between the distances between the centers of the chelate and phenyl rings and the copper(II)-carbon distances, as well as a mutual slipped-parallel orientation of the phenyl and chelate rings. ((C) Wiley-VCH Verlag GmbH and Co. KGaA, 69451 Weinheim, Germany, 2004).",
journal = "European Journal of Inorganic Chemistry",
title = "Intermolecular interactions between chelate rings and phenyl rings in square-planar copper(II) complexes",
number = "11",
pages = "2215-2218",
doi = "10.1002/ejic.200400086"
}
Tomić, Z. D., Novaković, S. B.,& Zarić, S. D.. (2004). Intermolecular interactions between chelate rings and phenyl rings in square-planar copper(II) complexes. in European Journal of Inorganic Chemistry(11), 2215-2218.
https://doi.org/10.1002/ejic.200400086
Tomić ZD, Novaković SB, Zarić SD. Intermolecular interactions between chelate rings and phenyl rings in square-planar copper(II) complexes. in European Journal of Inorganic Chemistry. 2004;(11):2215-2218.
doi:10.1002/ejic.200400086 .
Tomić, Zoran D., Novaković, Slađana B., Zarić, Snežana D., "Intermolecular interactions between chelate rings and phenyl rings in square-planar copper(II) complexes" in European Journal of Inorganic Chemistry, no. 11 (2004):2215-2218,
https://doi.org/10.1002/ejic.200400086 . .
51
55
59

Intramolecular C-H center dot center dot center dot pi interactions in metal-porphyrin complexes

Bogdanović, Goran A.; Medaković, Vesna B.; Milčić, Miloš K.; Zarić, Snežana D.

(2004)

TY  - JOUR
AU  - Bogdanović, Goran A.
AU  - Medaković, Vesna B.
AU  - Milčić, Miloš K.
AU  - Zarić, Snežana D.
PY  - 2004
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/6486
AB  - Cambridge Structural Database (CSD) was screened in order to find intramolecular C-H...pi interactions with a chelate ring of coordinated porphyrin. It was found 154 crystal structures with 244 intramolecular C-H...pi interactions in transition metal complexes with derivatives of porphyrin. Comparison of interacting distances indicates that interactions of hydrogen atoms in positions 2 and 6 of axially coordinated pyridine are more favorable with ruffled than with planar porphyrin.
T2  - International Journal of Molecular Sciences
T1  - Intramolecular C-H center dot center dot center dot pi interactions in metal-porphyrin complexes
VL  - 5
SP  - 174
EP  - 185
DO  - 10.3390/i5040174
ER  - 
@article{
author = "Bogdanović, Goran A. and Medaković, Vesna B. and Milčić, Miloš K. and Zarić, Snežana D.",
year = "2004",
abstract = "Cambridge Structural Database (CSD) was screened in order to find intramolecular C-H...pi interactions with a chelate ring of coordinated porphyrin. It was found 154 crystal structures with 244 intramolecular C-H...pi interactions in transition metal complexes with derivatives of porphyrin. Comparison of interacting distances indicates that interactions of hydrogen atoms in positions 2 and 6 of axially coordinated pyridine are more favorable with ruffled than with planar porphyrin.",
journal = "International Journal of Molecular Sciences",
title = "Intramolecular C-H center dot center dot center dot pi interactions in metal-porphyrin complexes",
volume = "5",
pages = "174-185",
doi = "10.3390/i5040174"
}
Bogdanović, G. A., Medaković, V. B., Milčić, M. K.,& Zarić, S. D.. (2004). Intramolecular C-H center dot center dot center dot pi interactions in metal-porphyrin complexes. in International Journal of Molecular Sciences, 5, 174-185.
https://doi.org/10.3390/i5040174
Bogdanović GA, Medaković VB, Milčić MK, Zarić SD. Intramolecular C-H center dot center dot center dot pi interactions in metal-porphyrin complexes. in International Journal of Molecular Sciences. 2004;5:174-185.
doi:10.3390/i5040174 .
Bogdanović, Goran A., Medaković, Vesna B., Milčić, Miloš K., Zarić, Snežana D., "Intramolecular C-H center dot center dot center dot pi interactions in metal-porphyrin complexes" in International Journal of Molecular Sciences, 5 (2004):174-185,
https://doi.org/10.3390/i5040174 . .
18
19
24

Intramolecular C-H center dot center dot center dot pi interactions in metal-porphyrin complexes

Bogdanović, Goran A.; Medakovkic, V; Milčić, Miloš K.; Zarić, Snežana D.

(2004)

TY  - JOUR
AU  - Bogdanović, Goran A.
AU  - Medakovkic, V
AU  - Milčić, Miloš K.
AU  - Zarić, Snežana D.
PY  - 2004
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/6448
AB  - Cambridge Structural Database (CSD) was screened in order to find intramolecular C-H...pi interactions with a chelate ring of coordinated porphyrin. It was found 154 crystal structures with 244 intramolecular C-H...pi interactions in transition metal complexes with derivatives of porphyrin. Comparison of interacting distances indicates that interactions of hydrogen atoms in positions 2 and 6 of axially coordinated pyridine are more favorable with ruffled than with planar porphyrin.
T2  - International Journal of Molecular Sciences
T1  - Intramolecular C-H center dot center dot center dot pi interactions in metal-porphyrin complexes
VL  - 5
IS  - 4-7
SP  - 174
EP  - 185
DO  - 10.3390/i5040174
ER  - 
@article{
author = "Bogdanović, Goran A. and Medakovkic, V and Milčić, Miloš K. and Zarić, Snežana D.",
year = "2004",
abstract = "Cambridge Structural Database (CSD) was screened in order to find intramolecular C-H...pi interactions with a chelate ring of coordinated porphyrin. It was found 154 crystal structures with 244 intramolecular C-H...pi interactions in transition metal complexes with derivatives of porphyrin. Comparison of interacting distances indicates that interactions of hydrogen atoms in positions 2 and 6 of axially coordinated pyridine are more favorable with ruffled than with planar porphyrin.",
journal = "International Journal of Molecular Sciences",
title = "Intramolecular C-H center dot center dot center dot pi interactions in metal-porphyrin complexes",
volume = "5",
number = "4-7",
pages = "174-185",
doi = "10.3390/i5040174"
}
Bogdanović, G. A., Medakovkic, V., Milčić, M. K.,& Zarić, S. D.. (2004). Intramolecular C-H center dot center dot center dot pi interactions in metal-porphyrin complexes. in International Journal of Molecular Sciences, 5(4-7), 174-185.
https://doi.org/10.3390/i5040174
Bogdanović GA, Medakovkic V, Milčić MK, Zarić SD. Intramolecular C-H center dot center dot center dot pi interactions in metal-porphyrin complexes. in International Journal of Molecular Sciences. 2004;5(4-7):174-185.
doi:10.3390/i5040174 .
Bogdanović, Goran A., Medakovkic, V, Milčić, Miloš K., Zarić, Snežana D., "Intramolecular C-H center dot center dot center dot pi interactions in metal-porphyrin complexes" in International Journal of Molecular Sciences, 5, no. 4-7 (2004):174-185,
https://doi.org/10.3390/i5040174 . .
18
19
24

C-H center dot center dot center dot pi interactions in the metal-porphyrin complexes with chelate ring as the H acceptor

Medaković, Vesna B.; Milčić, Miloš K.; Bogdanović, Goran A.; Zarić, Snežana D.

(2004)

TY  - JOUR
AU  - Medaković, Vesna B.
AU  - Milčić, Miloš K.
AU  - Bogdanović, Goran A.
AU  - Zarić, Snežana D.
PY  - 2004
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/2818
AB  - Specific C-H(...)pi interactions with the pi-system of porphyrinato chelate ring were found in crystal structures of transition metal complexes from the Cambridge Structural Database and statistical analysis of geometrical parameters for intramolecular and intermolecular interactions was done. By density functional theory calculations on a model system it was evaluated that an interaction energy is above 1.5 kcal/mol and that the strongest interaction occurs when the distance between hydrogen atom and the center of the chelate ring is 2.6 Angstrom. This prediction is in good agreement with the distances for intermolecular interactions found in the crystal structures. In many cases the intramolecular interaction distances are much shorter than 2.6 Angstrom, and these short distances are caused by geometrical constrains. The C-H(...)pi interactions with chelate ring of porphyrinato ligand can influence the structure, contribute to its stability, and play some role in the function of biomolecules with metalo porphyrins. (C) 2004 Elsevier Inc. All rights reserved.
T2  - Journal of Inorganic Biochemistry
T1  - C-H center dot center dot center dot pi interactions in the metal-porphyrin complexes with chelate ring as the H acceptor
VL  - 98
IS  - 11
SP  - 1867
EP  - 1873
DO  - 10.1016/j.jinorgbio.2004.08.012
ER  - 
@article{
author = "Medaković, Vesna B. and Milčić, Miloš K. and Bogdanović, Goran A. and Zarić, Snežana D.",
year = "2004",
abstract = "Specific C-H(...)pi interactions with the pi-system of porphyrinato chelate ring were found in crystal structures of transition metal complexes from the Cambridge Structural Database and statistical analysis of geometrical parameters for intramolecular and intermolecular interactions was done. By density functional theory calculations on a model system it was evaluated that an interaction energy is above 1.5 kcal/mol and that the strongest interaction occurs when the distance between hydrogen atom and the center of the chelate ring is 2.6 Angstrom. This prediction is in good agreement with the distances for intermolecular interactions found in the crystal structures. In many cases the intramolecular interaction distances are much shorter than 2.6 Angstrom, and these short distances are caused by geometrical constrains. The C-H(...)pi interactions with chelate ring of porphyrinato ligand can influence the structure, contribute to its stability, and play some role in the function of biomolecules with metalo porphyrins. (C) 2004 Elsevier Inc. All rights reserved.",
journal = "Journal of Inorganic Biochemistry",
title = "C-H center dot center dot center dot pi interactions in the metal-porphyrin complexes with chelate ring as the H acceptor",
volume = "98",
number = "11",
pages = "1867-1873",
doi = "10.1016/j.jinorgbio.2004.08.012"
}
Medaković, V. B., Milčić, M. K., Bogdanović, G. A.,& Zarić, S. D.. (2004). C-H center dot center dot center dot pi interactions in the metal-porphyrin complexes with chelate ring as the H acceptor. in Journal of Inorganic Biochemistry, 98(11), 1867-1873.
https://doi.org/10.1016/j.jinorgbio.2004.08.012
Medaković VB, Milčić MK, Bogdanović GA, Zarić SD. C-H center dot center dot center dot pi interactions in the metal-porphyrin complexes with chelate ring as the H acceptor. in Journal of Inorganic Biochemistry. 2004;98(11):1867-1873.
doi:10.1016/j.jinorgbio.2004.08.012 .
Medaković, Vesna B., Milčić, Miloš K., Bogdanović, Goran A., Zarić, Snežana D., "C-H center dot center dot center dot pi interactions in the metal-porphyrin complexes with chelate ring as the H acceptor" in Journal of Inorganic Biochemistry, 98, no. 11 (2004):1867-1873,
https://doi.org/10.1016/j.jinorgbio.2004.08.012 . .
54
56
59

Crystal structure of bis[acetone-1-naphthoylhydrazinato(-1)]copper(II) and investigations of intermolecular interactions

Tomić, Zoran D.; Leovac, Vukadin M.; Pokorni, SV; Zobel, D; Zarić, Snežana D.

(2003)

TY  - JOUR
AU  - Tomić, Zoran D.
AU  - Leovac, Vukadin M.
AU  - Pokorni, SV
AU  - Zobel, D
AU  - Zarić, Snežana D.
PY  - 2003
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/2621
AB  - In the crystal structure of the bis (acetone-1-naphthoylhydrazinato)copper(II) complex there are interactions of neighbouring molecules via naphthyl groups; the naphthyl group of one molecule interacts with the copper centre and CH3 group of another molecule. The geometry of the crystal structure and dispositions of charges in the naphthyl and chelate rings indicate that there are stacking interactions between the aromatic ring and, not only the copper atom, but also the whole chelate ring. ((C) Wiley-VCH Verlag GmbH and Co. KGaA, 69451 Weinheim, Germany, 2003).
T2  - European Journal of Inorganic Chemistry
T1  - Crystal structure of bis[acetone-1-naphthoylhydrazinato(-1)]copper(II) and investigations of intermolecular interactions
IS  - 6
SP  - 1222
EP  - 1226
ER  - 
@article{
author = "Tomić, Zoran D. and Leovac, Vukadin M. and Pokorni, SV and Zobel, D and Zarić, Snežana D.",
year = "2003",
abstract = "In the crystal structure of the bis (acetone-1-naphthoylhydrazinato)copper(II) complex there are interactions of neighbouring molecules via naphthyl groups; the naphthyl group of one molecule interacts with the copper centre and CH3 group of another molecule. The geometry of the crystal structure and dispositions of charges in the naphthyl and chelate rings indicate that there are stacking interactions between the aromatic ring and, not only the copper atom, but also the whole chelate ring. ((C) Wiley-VCH Verlag GmbH and Co. KGaA, 69451 Weinheim, Germany, 2003).",
journal = "European Journal of Inorganic Chemistry",
title = "Crystal structure of bis[acetone-1-naphthoylhydrazinato(-1)]copper(II) and investigations of intermolecular interactions",
number = "6",
pages = "1222-1226"
}
Tomić, Z. D., Leovac, V. M., Pokorni, S., Zobel, D.,& Zarić, S. D.. (2003). Crystal structure of bis[acetone-1-naphthoylhydrazinato(-1)]copper(II) and investigations of intermolecular interactions. in European Journal of Inorganic Chemistry(6), 1222-1226.
Tomić ZD, Leovac VM, Pokorni S, Zobel D, Zarić SD. Crystal structure of bis[acetone-1-naphthoylhydrazinato(-1)]copper(II) and investigations of intermolecular interactions. in European Journal of Inorganic Chemistry. 2003;(6):1222-1226..
Tomić, Zoran D., Leovac, Vukadin M., Pokorni, SV, Zobel, D, Zarić, Snežana D., "Crystal structure of bis[acetone-1-naphthoylhydrazinato(-1)]copper(II) and investigations of intermolecular interactions" in European Journal of Inorganic Chemistry, no. 6 (2003):1222-1226.
35

Evidence based on crystal structures and calculations of a C-H-...pi interaction between an organic moiety and a chelate ring in transition metal complexes

Bogdanović, Goran A.; Bire, ASD; Zarić, Snežana D.

(2002)

TY  - JOUR
AU  - Bogdanović, Goran A.
AU  - Bire, ASD
AU  - Zarić, Snežana D.
PY  - 2002
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/2534
AB  - Structural and computational evidence is given for a special type of C-H(...)pi interaction where the C-H group interacts with the pi-system of a six-membered chelate ring. An investigation of crystal structures shows that these interactions take place in quite a number of metal complexes, including organometallic compounds; in the CSD we found over 1200 structures with these interactions, These interactions exist in complexes of different metals and various chelate rings, DFT calculations on three model systems show that the energy of these interactions is about 1 kcal/mol. ((C) Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002).
T2  - European Journal of Inorganic Chemistry
T1  - Evidence based on crystal structures and calculations of a C-H-...pi interaction between an organic moiety and a chelate ring in transition metal complexes
IS  - 7
SP  - 1599
EP  - 1602
ER  - 
@article{
author = "Bogdanović, Goran A. and Bire, ASD and Zarić, Snežana D.",
year = "2002",
abstract = "Structural and computational evidence is given for a special type of C-H(...)pi interaction where the C-H group interacts with the pi-system of a six-membered chelate ring. An investigation of crystal structures shows that these interactions take place in quite a number of metal complexes, including organometallic compounds; in the CSD we found over 1200 structures with these interactions, These interactions exist in complexes of different metals and various chelate rings, DFT calculations on three model systems show that the energy of these interactions is about 1 kcal/mol. ((C) Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002).",
journal = "European Journal of Inorganic Chemistry",
title = "Evidence based on crystal structures and calculations of a C-H-...pi interaction between an organic moiety and a chelate ring in transition metal complexes",
number = "7",
pages = "1599-1602"
}
Bogdanović, G. A., Bire, A.,& Zarić, S. D.. (2002). Evidence based on crystal structures and calculations of a C-H-...pi interaction between an organic moiety and a chelate ring in transition metal complexes. in European Journal of Inorganic Chemistry(7), 1599-1602.
Bogdanović GA, Bire A, Zarić SD. Evidence based on crystal structures and calculations of a C-H-...pi interaction between an organic moiety and a chelate ring in transition metal complexes. in European Journal of Inorganic Chemistry. 2002;(7):1599-1602..
Bogdanović, Goran A., Bire, ASD, Zarić, Snežana D., "Evidence based on crystal structures and calculations of a C-H-...pi interaction between an organic moiety and a chelate ring in transition metal complexes" in European Journal of Inorganic Chemistry, no. 7 (2002):1599-1602.
93