Tomić, Zoran D.

Link to this page

Authority KeyName Variants
orcid::0000-0003-4436-1724
  • Tomić, Zoran D. (34)
Projects

Author's Bibliography

The crystal structure of bis[4-bromo-2-(1H-pyrazol-3-yl) phenolato-κ2N,O] copper(II), C18H12Br2CuN4O2

Jaćimović, Željko K.; Tomić, Zoran D.; Giester, Gerald; Libowitzky, Eugen; Ajanović, Atifa; Kosović, Milica

(2021)

TY  - JOUR
AU  - Jaćimović, Željko K.
AU  - Tomić, Zoran D.
AU  - Giester, Gerald
AU  - Libowitzky, Eugen
AU  - Ajanović, Atifa
AU  - Kosović, Milica
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9879
AB  - C 18 H 12 Br 2 CuN 4 O 2 , monoclinic, P 2 1 / c (no. 14), a  = 11.5165(11) Å, b  = 5.4369(5) Å, c  = 14.4872(14) Å, V  = 873.52(14) Å 3 , Z  = 2, R gt ( F ) = 0.0232, wR ref ( F 2 ) = 0.0559, T  = 200 K.
T2  - Zeitschrift für Kristallographie - New Crystal Structures
T1  - The crystal structure of bis[4-bromo-2-(1H-pyrazol-3-yl) phenolato-κ2N,O] copper(II), C18H12Br2CuN4O2
VL  - 236
IS  - 5
SP  - 1003
EP  - 1005
DO  - 10.1515/ncrs-2021-0191
ER  - 
@article{
author = "Jaćimović, Željko K. and Tomić, Zoran D. and Giester, Gerald and Libowitzky, Eugen and Ajanović, Atifa and Kosović, Milica",
year = "2021",
abstract = "C 18 H 12 Br 2 CuN 4 O 2 , monoclinic, P 2 1 / c (no. 14), a  = 11.5165(11) Å, b  = 5.4369(5) Å, c  = 14.4872(14) Å, V  = 873.52(14) Å 3 , Z  = 2, R gt ( F ) = 0.0232, wR ref ( F 2 ) = 0.0559, T  = 200 K.",
journal = "Zeitschrift für Kristallographie - New Crystal Structures",
title = "The crystal structure of bis[4-bromo-2-(1H-pyrazol-3-yl) phenolato-κ2N,O] copper(II), C18H12Br2CuN4O2",
volume = "236",
number = "5",
pages = "1003-1005",
doi = "10.1515/ncrs-2021-0191"
}
Jaćimović, Ž. K., Tomić, Z. D., Giester, G., Libowitzky, E., Ajanović, A.,& Kosović, M.. (2021). The crystal structure of bis[4-bromo-2-(1H-pyrazol-3-yl) phenolato-κ2N,O] copper(II), C18H12Br2CuN4O2. in Zeitschrift für Kristallographie - New Crystal Structures, 236(5), 1003-1005.
https://doi.org/10.1515/ncrs-2021-0191
Jaćimović ŽK, Tomić ZD, Giester G, Libowitzky E, Ajanović A, Kosović M. The crystal structure of bis[4-bromo-2-(1H-pyrazol-3-yl) phenolato-κ2N,O] copper(II), C18H12Br2CuN4O2. in Zeitschrift für Kristallographie - New Crystal Structures. 2021;236(5):1003-1005.
doi:10.1515/ncrs-2021-0191 .
Jaćimović, Željko K., Tomić, Zoran D., Giester, Gerald, Libowitzky, Eugen, Ajanović, Atifa, Kosović, Milica, "The crystal structure of bis[4-bromo-2-(1H-pyrazol-3-yl) phenolato-κ2N,O] copper(II), C18H12Br2CuN4O2" in Zeitschrift für Kristallographie - New Crystal Structures, 236, no. 5 (2021):1003-1005,
https://doi.org/10.1515/ncrs-2021-0191 . .

Anion-/cation-directed reaction routes to polymorphic forms of a pyrazole-type ligand and its coordination compounds with zinc. Key structural differences between polymorphs

Hollo, Berta Barta; Szecsenyi, Katalin Meszaros; Deli, Maria; Kiss, Lorand; Kallay-Menyhard, Alfred; Zivkovic-Radovanovic, Vukosava; Tomić, Zoran D.

(2016)

TY  - JOUR
AU  - Hollo, Berta Barta
AU  - Szecsenyi, Katalin Meszaros
AU  - Deli, Maria
AU  - Kiss, Lorand
AU  - Kallay-Menyhard, Alfred
AU  - Zivkovic-Radovanovic, Vukosava
AU  - Tomić, Zoran D.
PY  - 2016
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1184
AB  - Synthetic paths toward the two polymorphs of a monohydrate, one anhydrous polymorph of 1-carboxamidino-5-hydroxy-3-methylpyrazole (hcmp) and two polymorphs of zinc complexes containing hcmp ligand are presented. By choosing ions which are not part of the final product, it is possible to direct the synthesis toward the particular polymorph. In all three modifications of hcmp, the same hydrogen bonding motif appears, leading to formation of similar molecular chains. Differences arise due to different modes of chain aggregation and the presence of solvent water. Analysis of the crystal packing and the energetic features of hcmp polymorphs is made using the PIXEL model. The thermal decomposition processes are examined using differential scanning calorimetry and thermogravimetry. Analysis of crystal packing in the two polymorphs of zinc complex suggests the key role of the hydrogen bonding capacity of the aqua ligand for the appearance of the two polymorphic forms. In both polymorphs of zinc complex, stacking interactions have an important role. However, the enhanced hydrogen bonding capacity of the aqua ligand influences the formation of multistacking arrangement.
T2  - Structural Chemistry
T1  - Anion-/cation-directed reaction routes to polymorphic forms of a pyrazole-type ligand and its coordination compounds with zinc. Key structural differences between polymorphs
VL  - 27
IS  - 4
SP  - 1121
EP  - 1133
DO  - 10.1007/s11224-015-0734-1
ER  - 
@article{
author = "Hollo, Berta Barta and Szecsenyi, Katalin Meszaros and Deli, Maria and Kiss, Lorand and Kallay-Menyhard, Alfred and Zivkovic-Radovanovic, Vukosava and Tomić, Zoran D.",
year = "2016",
abstract = "Synthetic paths toward the two polymorphs of a monohydrate, one anhydrous polymorph of 1-carboxamidino-5-hydroxy-3-methylpyrazole (hcmp) and two polymorphs of zinc complexes containing hcmp ligand are presented. By choosing ions which are not part of the final product, it is possible to direct the synthesis toward the particular polymorph. In all three modifications of hcmp, the same hydrogen bonding motif appears, leading to formation of similar molecular chains. Differences arise due to different modes of chain aggregation and the presence of solvent water. Analysis of the crystal packing and the energetic features of hcmp polymorphs is made using the PIXEL model. The thermal decomposition processes are examined using differential scanning calorimetry and thermogravimetry. Analysis of crystal packing in the two polymorphs of zinc complex suggests the key role of the hydrogen bonding capacity of the aqua ligand for the appearance of the two polymorphic forms. In both polymorphs of zinc complex, stacking interactions have an important role. However, the enhanced hydrogen bonding capacity of the aqua ligand influences the formation of multistacking arrangement.",
journal = "Structural Chemistry",
title = "Anion-/cation-directed reaction routes to polymorphic forms of a pyrazole-type ligand and its coordination compounds with zinc. Key structural differences between polymorphs",
volume = "27",
number = "4",
pages = "1121-1133",
doi = "10.1007/s11224-015-0734-1"
}
Hollo, B. B., Szecsenyi, K. M., Deli, M., Kiss, L., Kallay-Menyhard, A., Zivkovic-Radovanovic, V.,& Tomić, Z. D.. (2016). Anion-/cation-directed reaction routes to polymorphic forms of a pyrazole-type ligand and its coordination compounds with zinc. Key structural differences between polymorphs. in Structural Chemistry, 27(4), 1121-1133.
https://doi.org/10.1007/s11224-015-0734-1
Hollo BB, Szecsenyi KM, Deli M, Kiss L, Kallay-Menyhard A, Zivkovic-Radovanovic V, Tomić ZD. Anion-/cation-directed reaction routes to polymorphic forms of a pyrazole-type ligand and its coordination compounds with zinc. Key structural differences between polymorphs. in Structural Chemistry. 2016;27(4):1121-1133.
doi:10.1007/s11224-015-0734-1 .
Hollo, Berta Barta, Szecsenyi, Katalin Meszaros, Deli, Maria, Kiss, Lorand, Kallay-Menyhard, Alfred, Zivkovic-Radovanovic, Vukosava, Tomić, Zoran D., "Anion-/cation-directed reaction routes to polymorphic forms of a pyrazole-type ligand and its coordination compounds with zinc. Key structural differences between polymorphs" in Structural Chemistry, 27, no. 4 (2016):1121-1133,
https://doi.org/10.1007/s11224-015-0734-1 . .
2
2
2

Synthesis, characterisation and antimicrobial activity of bis(phthalazine-1-hydrazone)-2,6-diacetylpyridine and its complexes with Co-III, Ni-II, Cu-II and Zn-II

Hollo, Berta; Magyari, Jozsef; Ivkovic-Radovanovic, Vukosava; Vučković, Gordana; Tomić, Zoran D.; Szilagyi, Imre Miklos; Pokol, Gyorgy; Szecsenyi, Katalin Meszaros

(2014)

TY  - JOUR
AU  - Hollo, Berta
AU  - Magyari, Jozsef
AU  - Ivkovic-Radovanovic, Vukosava
AU  - Vučković, Gordana
AU  - Tomić, Zoran D.
AU  - Szilagyi, Imre Miklos
AU  - Pokol, Gyorgy
AU  - Szecsenyi, Katalin Meszaros
PY  - 2014
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/100
AB  - Four new complex compounds of bis(phthalazine-1-hydrazone)-2,6-diacetylpyridine (Hz(2)DAP) ligand with Ni-II, Co-III, Cu-II and Zn-II metal centres were synthesised and characterised by single-crystal X-ray diffraction and IR spectral data. The antimicrobial activity of Hz(2)DAP and the obtained complexes [Co(Hz(2)DAP-H)Cl-2]center dot MeOH, [Ni(Hz(2)DAP-H)]Cl center dot MeOH, [Cu(Hz(2)DAP-H)Cl] and [Zn(Hz(2)DAP-2H)]center dot H2O were tested in vitro against selected Gram(-) and Gram(+) bacterial strains and fungi. The antimicrobial activity of the ligand is negligible, while its complexes with Ni-II, Co-III and Cu-II show considerable activity against Escherichia coli, Staphylococcus aureus and Micrococcus lysodeikticus. On the contrary, [Zn(Hz(2)DAP-2H)]center dot H2O promotes the growth of Candida albicans, while its antibacterial activity is negligible. On the basis of thermal data and those from coupled TG/MS measurements the decomposition mechanisms were determined and evaluated. (C) 2014 Elsevier Ltd. All rights reserved.
T2  - Polyhedron
T1  - Synthesis, characterisation and antimicrobial activity of bis(phthalazine-1-hydrazone)-2,6-diacetylpyridine and its complexes with Co-III, Ni-II, Cu-II and Zn-II
VL  - 80
IS  - SI
SP  - 142
EP  - 150
DO  - 10.1016/j.poly.2014.03.007
ER  - 
@article{
author = "Hollo, Berta and Magyari, Jozsef and Ivkovic-Radovanovic, Vukosava and Vučković, Gordana and Tomić, Zoran D. and Szilagyi, Imre Miklos and Pokol, Gyorgy and Szecsenyi, Katalin Meszaros",
year = "2014",
abstract = "Four new complex compounds of bis(phthalazine-1-hydrazone)-2,6-diacetylpyridine (Hz(2)DAP) ligand with Ni-II, Co-III, Cu-II and Zn-II metal centres were synthesised and characterised by single-crystal X-ray diffraction and IR spectral data. The antimicrobial activity of Hz(2)DAP and the obtained complexes [Co(Hz(2)DAP-H)Cl-2]center dot MeOH, [Ni(Hz(2)DAP-H)]Cl center dot MeOH, [Cu(Hz(2)DAP-H)Cl] and [Zn(Hz(2)DAP-2H)]center dot H2O were tested in vitro against selected Gram(-) and Gram(+) bacterial strains and fungi. The antimicrobial activity of the ligand is negligible, while its complexes with Ni-II, Co-III and Cu-II show considerable activity against Escherichia coli, Staphylococcus aureus and Micrococcus lysodeikticus. On the contrary, [Zn(Hz(2)DAP-2H)]center dot H2O promotes the growth of Candida albicans, while its antibacterial activity is negligible. On the basis of thermal data and those from coupled TG/MS measurements the decomposition mechanisms were determined and evaluated. (C) 2014 Elsevier Ltd. All rights reserved.",
journal = "Polyhedron",
title = "Synthesis, characterisation and antimicrobial activity of bis(phthalazine-1-hydrazone)-2,6-diacetylpyridine and its complexes with Co-III, Ni-II, Cu-II and Zn-II",
volume = "80",
number = "SI",
pages = "142-150",
doi = "10.1016/j.poly.2014.03.007"
}
Hollo, B., Magyari, J., Ivkovic-Radovanovic, V., Vučković, G., Tomić, Z. D., Szilagyi, I. M., Pokol, G.,& Szecsenyi, K. M.. (2014). Synthesis, characterisation and antimicrobial activity of bis(phthalazine-1-hydrazone)-2,6-diacetylpyridine and its complexes with Co-III, Ni-II, Cu-II and Zn-II. in Polyhedron, 80(SI), 142-150.
https://doi.org/10.1016/j.poly.2014.03.007
Hollo B, Magyari J, Ivkovic-Radovanovic V, Vučković G, Tomić ZD, Szilagyi IM, Pokol G, Szecsenyi KM. Synthesis, characterisation and antimicrobial activity of bis(phthalazine-1-hydrazone)-2,6-diacetylpyridine and its complexes with Co-III, Ni-II, Cu-II and Zn-II. in Polyhedron. 2014;80(SI):142-150.
doi:10.1016/j.poly.2014.03.007 .
Hollo, Berta, Magyari, Jozsef, Ivkovic-Radovanovic, Vukosava, Vučković, Gordana, Tomić, Zoran D., Szilagyi, Imre Miklos, Pokol, Gyorgy, Szecsenyi, Katalin Meszaros, "Synthesis, characterisation and antimicrobial activity of bis(phthalazine-1-hydrazone)-2,6-diacetylpyridine and its complexes with Co-III, Ni-II, Cu-II and Zn-II" in Polyhedron, 80, no. SI (2014):142-150,
https://doi.org/10.1016/j.poly.2014.03.007 . .
25
25
26

Synthesis, characterization and crystal structure of Cu(II) complex with a diimine-dioxime ligand, [Cu-2(LH)(2)](ClO4)(2). Influence of the weak Cu center dot center dot center dot O(perchlorate) interaction on the structure of the Cu2N2O2 metallocycle

Mirković, Marija D.; Nikolić, Nadežda S.; Mijin, Dušan Ž.; Ivic, Milka Avramov; Kapor, Agneš; Tomić, Zoran D.

(2014)

TY  - JOUR
AU  - Mirković, Marija D.
AU  - Nikolić, Nadežda S.
AU  - Mijin, Dušan Ž.
AU  - Ivic, Milka Avramov
AU  - Kapor, Agneš
AU  - Tomić, Zoran D.
PY  - 2014
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6018
AB  - The diimine dioxime ligand, 3,3-(1,4-butanediyl-dinitrilo)bis-2-pentanone, 2,2-dioxime (LH2), containing a N-4 donor set was prepared by the Schiff base condensation of 2-hydroxyimino-3-pentanone and 1,4-diaminobutane in two ways: in a protic and in an aprotic solvent. A higher yield of the (LH2) imine was obtained when the synthesis was performed using a protic solvent (C2H5OH) instead of aprotic benzene (78 and 30 %, respectively). The Cu(II) metal complex of diimine dioxime was synthesized in CH3OH from the perchlorate salt of LH2 in a 1:1 mole ratio. The isolated complex was characterized by the elemental analysis, IR spectroscopy and cyclic voltammetry. The structure of [Cu-2(LH)(2)](ClO4)(2) was determined by single-crystal X-ray diffraction analysis. Comparison with structurally related diimine dioxime Cu(II) complexes revealed the influence of a weak Cu center dot center dot center dot O(perchlorate) interaction on the geometry of the metallocycle.
T2  - Journal of the Serbian Chemical Society
T1  - Synthesis, characterization and crystal structure of Cu(II) complex with a diimine-dioxime ligand, [Cu-2(LH)(2)](ClO4)(2). Influence of the weak Cu center dot center dot center dot O(perchlorate) interaction on the structure of the Cu2N2O2 metallocycle
VL  - 79
IS  - 5
SP  - 545
EP  - 556
DO  - 10.2298/JSC130910120M
ER  - 
@article{
author = "Mirković, Marija D. and Nikolić, Nadežda S. and Mijin, Dušan Ž. and Ivic, Milka Avramov and Kapor, Agneš and Tomić, Zoran D.",
year = "2014",
abstract = "The diimine dioxime ligand, 3,3-(1,4-butanediyl-dinitrilo)bis-2-pentanone, 2,2-dioxime (LH2), containing a N-4 donor set was prepared by the Schiff base condensation of 2-hydroxyimino-3-pentanone and 1,4-diaminobutane in two ways: in a protic and in an aprotic solvent. A higher yield of the (LH2) imine was obtained when the synthesis was performed using a protic solvent (C2H5OH) instead of aprotic benzene (78 and 30 %, respectively). The Cu(II) metal complex of diimine dioxime was synthesized in CH3OH from the perchlorate salt of LH2 in a 1:1 mole ratio. The isolated complex was characterized by the elemental analysis, IR spectroscopy and cyclic voltammetry. The structure of [Cu-2(LH)(2)](ClO4)(2) was determined by single-crystal X-ray diffraction analysis. Comparison with structurally related diimine dioxime Cu(II) complexes revealed the influence of a weak Cu center dot center dot center dot O(perchlorate) interaction on the geometry of the metallocycle.",
journal = "Journal of the Serbian Chemical Society",
title = "Synthesis, characterization and crystal structure of Cu(II) complex with a diimine-dioxime ligand, [Cu-2(LH)(2)](ClO4)(2). Influence of the weak Cu center dot center dot center dot O(perchlorate) interaction on the structure of the Cu2N2O2 metallocycle",
volume = "79",
number = "5",
pages = "545-556",
doi = "10.2298/JSC130910120M"
}
Mirković, M. D., Nikolić, N. S., Mijin, D. Ž., Ivic, M. A., Kapor, A.,& Tomić, Z. D.. (2014). Synthesis, characterization and crystal structure of Cu(II) complex with a diimine-dioxime ligand, [Cu-2(LH)(2)](ClO4)(2). Influence of the weak Cu center dot center dot center dot O(perchlorate) interaction on the structure of the Cu2N2O2 metallocycle. in Journal of the Serbian Chemical Society, 79(5), 545-556.
https://doi.org/10.2298/JSC130910120M
Mirković MD, Nikolić NS, Mijin DŽ, Ivic MA, Kapor A, Tomić ZD. Synthesis, characterization and crystal structure of Cu(II) complex with a diimine-dioxime ligand, [Cu-2(LH)(2)](ClO4)(2). Influence of the weak Cu center dot center dot center dot O(perchlorate) interaction on the structure of the Cu2N2O2 metallocycle. in Journal of the Serbian Chemical Society. 2014;79(5):545-556.
doi:10.2298/JSC130910120M .
Mirković, Marija D., Nikolić, Nadežda S., Mijin, Dušan Ž., Ivic, Milka Avramov, Kapor, Agneš, Tomić, Zoran D., "Synthesis, characterization and crystal structure of Cu(II) complex with a diimine-dioxime ligand, [Cu-2(LH)(2)](ClO4)(2). Influence of the weak Cu center dot center dot center dot O(perchlorate) interaction on the structure of the Cu2N2O2 metallocycle" in Journal of the Serbian Chemical Society, 79, no. 5 (2014):545-556,
https://doi.org/10.2298/JSC130910120M . .

Influence of the weak interaction on the structure of metallocycle in binuclear copper(II) complex

Tomić, Zoran D.; Mirković, Marija D.; Nikolić, Nadežda S.; Stanković, Dragana; Mijin, Dušan Ž.; Kapor, Agneš

(Society of Physical Chemists of Serbia, 2014)

TY  - CONF
AU  - Tomić, Zoran D.
AU  - Mirković, Marija D.
AU  - Nikolić, Nadežda S.
AU  - Stanković, Dragana
AU  - Mijin, Dušan Ž.
AU  - Kapor, Agneš
PY  - 2014
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9258
AB  - The structure of binuclear Cu(II) complex containing double oximato
bridges was determined by the single-crystal X-ray diffraction analysis.
Copper is five-coordinated with perchlorato anion present at the borderline
of semi-coordination. Comparison with the structurally related diiminedioxime
Cu(II) complexes revealed the influence of the weak
Cu···O(perchlorate) interaction on the geometry of the metallocycle.
PB  - Society of Physical Chemists of Serbia
C3  - PHYSICAL CHEMISTRY 2014: 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry
T1  - Influence of the weak interaction on the structure of metallocycle in binuclear copper(II) complex
VL  - M-05-P
ER  - 
@conference{
author = "Tomić, Zoran D. and Mirković, Marija D. and Nikolić, Nadežda S. and Stanković, Dragana and Mijin, Dušan Ž. and Kapor, Agneš",
year = "2014",
abstract = "The structure of binuclear Cu(II) complex containing double oximato
bridges was determined by the single-crystal X-ray diffraction analysis.
Copper is five-coordinated with perchlorato anion present at the borderline
of semi-coordination. Comparison with the structurally related diiminedioxime
Cu(II) complexes revealed the influence of the weak
Cu···O(perchlorate) interaction on the geometry of the metallocycle.",
publisher = "Society of Physical Chemists of Serbia",
journal = "PHYSICAL CHEMISTRY 2014: 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry",
title = "Influence of the weak interaction on the structure of metallocycle in binuclear copper(II) complex",
volume = "M-05-P"
}
Tomić, Z. D., Mirković, M. D., Nikolić, N. S., Stanković, D., Mijin, D. Ž.,& Kapor, A.. (2014). Influence of the weak interaction on the structure of metallocycle in binuclear copper(II) complex. in PHYSICAL CHEMISTRY 2014: 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry
Society of Physical Chemists of Serbia., M-05-P.
Tomić ZD, Mirković MD, Nikolić NS, Stanković D, Mijin DŽ, Kapor A. Influence of the weak interaction on the structure of metallocycle in binuclear copper(II) complex. in PHYSICAL CHEMISTRY 2014: 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry. 2014;M-05-P..
Tomić, Zoran D., Mirković, Marija D., Nikolić, Nadežda S., Stanković, Dragana, Mijin, Dušan Ž., Kapor, Agneš, "Influence of the weak interaction on the structure of metallocycle in binuclear copper(II) complex" in PHYSICAL CHEMISTRY 2014: 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry, M-05-P (2014).

Cation- and/or anion-directed reaction routes. Could the desolvation pattern of isostructural coordination compounds be related to their molecular structure?

Hollo, Berta; Rodić, Marko V.; Bera, Oskar; Jovicic, Mirjana; Leovac, Vukadin M.; Tomić, Zoran D.; Szecsenyi, Katalin Meszaros

(2013)

TY  - JOUR
AU  - Hollo, Berta
AU  - Rodić, Marko V.
AU  - Bera, Oskar
AU  - Jovicic, Mirjana
AU  - Leovac, Vukadin M.
AU  - Tomić, Zoran D.
AU  - Szecsenyi, Katalin Meszaros
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5791
AB  - The crystal and molecular structure of [Cu(ampf)(ClO4)(MeOH)(2)]ClO4, (1), ampf = N, N-bis(4-acetyl-5-methylpyrazol-3-yl)formamidine, determined by X-ray crystallography is described and compared with the structurally related copper(II) complexes, formed under similar experimental conditions, using Cu-II salts with different anions. The complex formation is discussed in view of the structures of cobalt(II) and nickel(II) complexes with the same organic ligand and different anions, also formed under similar reaction conditions. Solvent molecules coordinated to the central atom play an important role in biologic systems. To get a better insight into the desolvation mechanism, in this study the desolvation pattern of 1 is presented. As in literature little attention is paid to the desolvation mechanism of solvate complexes, the desolvation mechanism of three, potentially biologically active isostructural pairs of octahedral Ni-II and Co-II compounds with ampf and dmpc (3,5-dimethyl-1H-pyrazole-1-carboxamidine) ligands are evaluated and compared with the desolvation of 1. The results of the thermal data are discussed on the basis of structural features of the compounds. The minor differences in structures of the related compounds cannot be straightforwardly connected with the different solvent evaporation mechanism. To explain the differences found in desolvation pattern in isostructural Co-II and Ni-II complexes the Jahn-Teller effect is proposed.
T2  - Structural Chemistry
T1  - Cation- and/or anion-directed reaction routes. Could the desolvation pattern of isostructural coordination compounds be related to their molecular structure?
VL  - 24
IS  - 6
SP  - 2193
EP  - 2201
DO  - 10.1007/s11224-013-0270-9
ER  - 
@article{
author = "Hollo, Berta and Rodić, Marko V. and Bera, Oskar and Jovicic, Mirjana and Leovac, Vukadin M. and Tomić, Zoran D. and Szecsenyi, Katalin Meszaros",
year = "2013",
abstract = "The crystal and molecular structure of [Cu(ampf)(ClO4)(MeOH)(2)]ClO4, (1), ampf = N, N-bis(4-acetyl-5-methylpyrazol-3-yl)formamidine, determined by X-ray crystallography is described and compared with the structurally related copper(II) complexes, formed under similar experimental conditions, using Cu-II salts with different anions. The complex formation is discussed in view of the structures of cobalt(II) and nickel(II) complexes with the same organic ligand and different anions, also formed under similar reaction conditions. Solvent molecules coordinated to the central atom play an important role in biologic systems. To get a better insight into the desolvation mechanism, in this study the desolvation pattern of 1 is presented. As in literature little attention is paid to the desolvation mechanism of solvate complexes, the desolvation mechanism of three, potentially biologically active isostructural pairs of octahedral Ni-II and Co-II compounds with ampf and dmpc (3,5-dimethyl-1H-pyrazole-1-carboxamidine) ligands are evaluated and compared with the desolvation of 1. The results of the thermal data are discussed on the basis of structural features of the compounds. The minor differences in structures of the related compounds cannot be straightforwardly connected with the different solvent evaporation mechanism. To explain the differences found in desolvation pattern in isostructural Co-II and Ni-II complexes the Jahn-Teller effect is proposed.",
journal = "Structural Chemistry",
title = "Cation- and/or anion-directed reaction routes. Could the desolvation pattern of isostructural coordination compounds be related to their molecular structure?",
volume = "24",
number = "6",
pages = "2193-2201",
doi = "10.1007/s11224-013-0270-9"
}
Hollo, B., Rodić, M. V., Bera, O., Jovicic, M., Leovac, V. M., Tomić, Z. D.,& Szecsenyi, K. M.. (2013). Cation- and/or anion-directed reaction routes. Could the desolvation pattern of isostructural coordination compounds be related to their molecular structure?. in Structural Chemistry, 24(6), 2193-2201.
https://doi.org/10.1007/s11224-013-0270-9
Hollo B, Rodić MV, Bera O, Jovicic M, Leovac VM, Tomić ZD, Szecsenyi KM. Cation- and/or anion-directed reaction routes. Could the desolvation pattern of isostructural coordination compounds be related to their molecular structure?. in Structural Chemistry. 2013;24(6):2193-2201.
doi:10.1007/s11224-013-0270-9 .
Hollo, Berta, Rodić, Marko V., Bera, Oskar, Jovicic, Mirjana, Leovac, Vukadin M., Tomić, Zoran D., Szecsenyi, Katalin Meszaros, "Cation- and/or anion-directed reaction routes. Could the desolvation pattern of isostructural coordination compounds be related to their molecular structure?" in Structural Chemistry, 24, no. 6 (2013):2193-2201,
https://doi.org/10.1007/s11224-013-0270-9 . .
4
4
4

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  - https://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
21
21
22

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  - https://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 . .
79
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  - https://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

Mechanistic investigations of the oxygen atom transfer from LMoO2(XPh) to PR3

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

(2010)

TY  - CONF
AU  - Keith, Jason M.
AU  - Hall, Michael B.
AU  - Tomić, Zoran D.
PY  - 2010
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6414
C3  - Abstracts of Papers of the American Chemical Society
T1  - Mechanistic investigations of the oxygen atom transfer from LMoO2(XPh) to PR3
VL  - 239
ER  - 
@conference{
author = "Keith, Jason M. and Hall, Michael B. and Tomić, Zoran D.",
year = "2010",
journal = "Abstracts of Papers of the American Chemical Society",
title = "Mechanistic investigations of the oxygen atom transfer from LMoO2(XPh) to PR3",
volume = "239"
}
Keith, J. M., Hall, M. B.,& Tomić, Z. D.. (2010). Mechanistic investigations of the oxygen atom transfer from LMoO2(XPh) to PR3. in Abstracts of Papers of the American Chemical Society, 239.
Keith JM, Hall MB, Tomić ZD. Mechanistic investigations of the oxygen atom transfer from LMoO2(XPh) to PR3. in Abstracts of Papers of the American Chemical Society. 2010;239..
Keith, Jason M., Hall, Michael B., Tomić, Zoran D., "Mechanistic investigations of the oxygen atom transfer from LMoO2(XPh) to PR3" in Abstracts of Papers of the American Chemical Society, 239 (2010).

Transition metal complexes with pyrazole-based ligands. Part 28. Synthesis, structural, DFT and thermal studies of cadmium(II) halides and zinc(II) chloride complexes with 3,5-dimethylpyrazole-1-carboxamidine

Hollo, Berta; Tomić, Zoran D.; Pogany, Peter; Kovacs, Attila; Leovac, Vukadin M.; Szecsenyi, Katalin Meszaros

(2009)

TY  - JOUR
AU  - Hollo, Berta
AU  - Tomić, Zoran D.
AU  - Pogany, Peter
AU  - Kovacs, Attila
AU  - Leovac, Vukadin M.
AU  - Szecsenyi, Katalin Meszaros
PY  - 2009
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3839
AB  - The complex formation of 3,5-dimethylpyrazole-1-carboxamidinium nitrate, HL center dot HNO(3) with ammine complexes of cadmium(II) halides (Cl, Br, I) and zinc(II) chloride has been investigated under self-controlled reaction conditions. The complexes have been characterized by X-ray diffraction, FT-IR spectroscopy, thermal analysis and quantum chemical calculations. In the case of cadmium bromide and iodide salts, isostructural complexes with composition of [CdX(2)(HL)(2)] were formed. With CdCl(2) a binuclear octahedral [Cd(2)(HL)(4)(mu-Cl)(2)](NO(3))(2) complex is obtained. Zinc(II) chloride with HL center dot HNO(3) gives [Zn(HL)(2)Cl]NO(3), the zinc center exhibiting severely distorted five-coordinate stereochemistry, intermediate between an ideal trigonal bipyramid and a square pyramid. The course of complex formation as well as the thermal properties of the compounds has been explained using the HSAB principle. The assignment of the FT-IR spectra was supported by DFT computations. (C) 2009 Elsevier Ltd. All rights reserved.
T2  - Polyhedron
T1  - Transition metal complexes with pyrazole-based ligands. Part 28. Synthesis, structural, DFT and thermal studies of cadmium(II) halides and zinc(II) chloride complexes with 3,5-dimethylpyrazole-1-carboxamidine
VL  - 28
IS  - 17
SP  - 3881
EP  - 3889
DO  - 10.1016/j.poly.2009.08.020
ER  - 
@article{
author = "Hollo, Berta and Tomić, Zoran D. and Pogany, Peter and Kovacs, Attila and Leovac, Vukadin M. and Szecsenyi, Katalin Meszaros",
year = "2009",
abstract = "The complex formation of 3,5-dimethylpyrazole-1-carboxamidinium nitrate, HL center dot HNO(3) with ammine complexes of cadmium(II) halides (Cl, Br, I) and zinc(II) chloride has been investigated under self-controlled reaction conditions. The complexes have been characterized by X-ray diffraction, FT-IR spectroscopy, thermal analysis and quantum chemical calculations. In the case of cadmium bromide and iodide salts, isostructural complexes with composition of [CdX(2)(HL)(2)] were formed. With CdCl(2) a binuclear octahedral [Cd(2)(HL)(4)(mu-Cl)(2)](NO(3))(2) complex is obtained. Zinc(II) chloride with HL center dot HNO(3) gives [Zn(HL)(2)Cl]NO(3), the zinc center exhibiting severely distorted five-coordinate stereochemistry, intermediate between an ideal trigonal bipyramid and a square pyramid. The course of complex formation as well as the thermal properties of the compounds has been explained using the HSAB principle. The assignment of the FT-IR spectra was supported by DFT computations. (C) 2009 Elsevier Ltd. All rights reserved.",
journal = "Polyhedron",
title = "Transition metal complexes with pyrazole-based ligands. Part 28. Synthesis, structural, DFT and thermal studies of cadmium(II) halides and zinc(II) chloride complexes with 3,5-dimethylpyrazole-1-carboxamidine",
volume = "28",
number = "17",
pages = "3881-3889",
doi = "10.1016/j.poly.2009.08.020"
}
Hollo, B., Tomić, Z. D., Pogany, P., Kovacs, A., Leovac, V. M.,& Szecsenyi, K. M.. (2009). Transition metal complexes with pyrazole-based ligands. Part 28. Synthesis, structural, DFT and thermal studies of cadmium(II) halides and zinc(II) chloride complexes with 3,5-dimethylpyrazole-1-carboxamidine. in Polyhedron, 28(17), 3881-3889.
https://doi.org/10.1016/j.poly.2009.08.020
Hollo B, Tomić ZD, Pogany P, Kovacs A, Leovac VM, Szecsenyi KM. Transition metal complexes with pyrazole-based ligands. Part 28. Synthesis, structural, DFT and thermal studies of cadmium(II) halides and zinc(II) chloride complexes with 3,5-dimethylpyrazole-1-carboxamidine. in Polyhedron. 2009;28(17):3881-3889.
doi:10.1016/j.poly.2009.08.020 .
Hollo, Berta, Tomić, Zoran D., Pogany, Peter, Kovacs, Attila, Leovac, Vukadin M., Szecsenyi, Katalin Meszaros, "Transition metal complexes with pyrazole-based ligands. Part 28. Synthesis, structural, DFT and thermal studies of cadmium(II) halides and zinc(II) chloride complexes with 3,5-dimethylpyrazole-1-carboxamidine" in Polyhedron, 28, no. 17 (2009):3881-3889,
https://doi.org/10.1016/j.poly.2009.08.020 . .
26
26
29

Cobalt(II) complexes with disubstituted 3-aminopyrazole derivative: Mononuclear Co(II) complex with in situ prepared formamidine ligand

Leovac, Vukadin M.; Tomić, Zoran D.; Kovacs, Attila; Joksović, Milan D.; Jovanović, Ljijana S.; Szecsenyi, Katalin Meszaros

(2008)

TY  - JOUR
AU  - Leovac, Vukadin M.
AU  - Tomić, Zoran D.
AU  - Kovacs, Attila
AU  - Joksović, Milan D.
AU  - Jovanović, Ljijana S.
AU  - Szecsenyi, Katalin Meszaros
PY  - 2008
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3352
AB  - In the reaction of Co(NO3)(2) center dot 6H(2)O with 4-acetyl-3-amino-5-methylpyrazole (aamp) two octahedral Co(II) complexes, [Co(aamp)2(H2O)(4)](NO3)(2), 1, and [Co(ampf)(MeOH)(2)NO3]NO3 (ampf= N,N-bis(4-acetyl-5-metliylpyrazole-3-yl)formamidine), 2, were obtained, depending on the reaction conditions. The presence of water in the reaction system leads to incorporation of water molecules into the crystal lattice and I was formed. In all anhydrous environment, due to addition of CH(OEt)3, the fusion of two aamp) was induced through their NH2-groups, incorporating the methine group of CH(OEt)(3). As a result, complex 2, containing an adenino-mimetic NNO pharmacophore ligand, was obtained. The crystal and molecular structure of both compounds was determined. The coordination of aamp in I was achieved through N2 of the pyrazole ring. On the contrary, in 2, an unusual coordination mode of pyrazole is found: one of the pyrazole moieties, due to steric hindrance, coordinates through the oxygen atom of the acetyl group instead of N2. The complexes were characterized by elemental analysis and electronic spectra. For 2 a comprehensive IR spectral analysis is given. The metalligand interactions in 2 are analyzed by quantum chemical computations. The desolvation mechanism of both compounds is discussed in detail. (c) 2007 Elsevier B.V. All rights reserved.
T2  - Journal of Organometallic Chemistry
T1  - Cobalt(II) complexes with disubstituted 3-aminopyrazole derivative: Mononuclear Co(II) complex with in situ prepared formamidine ligand
VL  - 693
IS  - 1
SP  - 77
EP  - 86
DO  - 10.1016/j.jorganchem.2007.10.018
ER  - 
@article{
author = "Leovac, Vukadin M. and Tomić, Zoran D. and Kovacs, Attila and Joksović, Milan D. and Jovanović, Ljijana S. and Szecsenyi, Katalin Meszaros",
year = "2008",
abstract = "In the reaction of Co(NO3)(2) center dot 6H(2)O with 4-acetyl-3-amino-5-methylpyrazole (aamp) two octahedral Co(II) complexes, [Co(aamp)2(H2O)(4)](NO3)(2), 1, and [Co(ampf)(MeOH)(2)NO3]NO3 (ampf= N,N-bis(4-acetyl-5-metliylpyrazole-3-yl)formamidine), 2, were obtained, depending on the reaction conditions. The presence of water in the reaction system leads to incorporation of water molecules into the crystal lattice and I was formed. In all anhydrous environment, due to addition of CH(OEt)3, the fusion of two aamp) was induced through their NH2-groups, incorporating the methine group of CH(OEt)(3). As a result, complex 2, containing an adenino-mimetic NNO pharmacophore ligand, was obtained. The crystal and molecular structure of both compounds was determined. The coordination of aamp in I was achieved through N2 of the pyrazole ring. On the contrary, in 2, an unusual coordination mode of pyrazole is found: one of the pyrazole moieties, due to steric hindrance, coordinates through the oxygen atom of the acetyl group instead of N2. The complexes were characterized by elemental analysis and electronic spectra. For 2 a comprehensive IR spectral analysis is given. The metalligand interactions in 2 are analyzed by quantum chemical computations. The desolvation mechanism of both compounds is discussed in detail. (c) 2007 Elsevier B.V. All rights reserved.",
journal = "Journal of Organometallic Chemistry",
title = "Cobalt(II) complexes with disubstituted 3-aminopyrazole derivative: Mononuclear Co(II) complex with in situ prepared formamidine ligand",
volume = "693",
number = "1",
pages = "77-86",
doi = "10.1016/j.jorganchem.2007.10.018"
}
Leovac, V. M., Tomić, Z. D., Kovacs, A., Joksović, M. D., Jovanović, L. S.,& Szecsenyi, K. M.. (2008). Cobalt(II) complexes with disubstituted 3-aminopyrazole derivative: Mononuclear Co(II) complex with in situ prepared formamidine ligand. in Journal of Organometallic Chemistry, 693(1), 77-86.
https://doi.org/10.1016/j.jorganchem.2007.10.018
Leovac VM, Tomić ZD, Kovacs A, Joksović MD, Jovanović LS, Szecsenyi KM. Cobalt(II) complexes with disubstituted 3-aminopyrazole derivative: Mononuclear Co(II) complex with in situ prepared formamidine ligand. in Journal of Organometallic Chemistry. 2008;693(1):77-86.
doi:10.1016/j.jorganchem.2007.10.018 .
Leovac, Vukadin M., Tomić, Zoran D., Kovacs, Attila, Joksović, Milan D., Jovanović, Ljijana S., Szecsenyi, Katalin Meszaros, "Cobalt(II) complexes with disubstituted 3-aminopyrazole derivative: Mononuclear Co(II) complex with in situ prepared formamidine ligand" in Journal of Organometallic Chemistry, 693, no. 1 (2008):77-86,
https://doi.org/10.1016/j.jorganchem.2007.10.018 . .
12
11
11

Crystal structure of bis(mu(2)-thiocyanato)tetrakis(3,5-dimethyl-t(thiocarbamoy)pyrazole)dinickel(II) dichloride ethanol disolvate, [Ni(NCS)(2)(C6H6N3S)(4)] [Cl](2)center dot 2C(2)H(5)OH

Jacimovic, Zeljko K.; Radović, Ana; Leovac, Vukadin M.; Tomić, Zoran D.; Radosavjević Evans, Ivana

(2007)

TY  - JOUR
AU  - Jacimovic, Zeljko K.
AU  - Radović, Ana
AU  - Leovac, Vukadin M.
AU  - Tomić, Zoran D.
AU  - Radosavjević Evans, Ivana
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3397
AB  - C30H48Cl2N14Ni2O2S6, monoclinic, P12/c1 (no. 14), a = 12.0407(7) angstrom,k, b = 11.8861(6) angstrom, c = 15.7389(9) angstrom, beta = 93.904(1)degrees, V = 2247.3 angstrom(3) Z = 2, R-gt(F) = 0.032, wR(ref) f(F-2) = 0.069, T = 120.
T2  - Zeitschrift fur Kristallographie = New Crystal Structures
T1  - Crystal structure of bis(mu(2)-thiocyanato)tetrakis(3,5-dimethyl-t(thiocarbamoy)pyrazole)dinickel(II) dichloride ethanol disolvate, [Ni(NCS)(2)(C6H6N3S)(4)] [Cl](2)center dot 2C(2)H(5)OH
VL  - 222
IS  - 4
SP  - 430
EP  - 432
DO  - 10.1524/ncrs.2007.0182
ER  - 
@article{
author = "Jacimovic, Zeljko K. and Radović, Ana and Leovac, Vukadin M. and Tomić, Zoran D. and Radosavjević Evans, Ivana",
year = "2007",
abstract = "C30H48Cl2N14Ni2O2S6, monoclinic, P12/c1 (no. 14), a = 12.0407(7) angstrom,k, b = 11.8861(6) angstrom, c = 15.7389(9) angstrom, beta = 93.904(1)degrees, V = 2247.3 angstrom(3) Z = 2, R-gt(F) = 0.032, wR(ref) f(F-2) = 0.069, T = 120.",
journal = "Zeitschrift fur Kristallographie = New Crystal Structures",
title = "Crystal structure of bis(mu(2)-thiocyanato)tetrakis(3,5-dimethyl-t(thiocarbamoy)pyrazole)dinickel(II) dichloride ethanol disolvate, [Ni(NCS)(2)(C6H6N3S)(4)] [Cl](2)center dot 2C(2)H(5)OH",
volume = "222",
number = "4",
pages = "430-432",
doi = "10.1524/ncrs.2007.0182"
}
Jacimovic, Z. K., Radović, A., Leovac, V. M., Tomić, Z. D.,& Radosavjević Evans, I.. (2007). Crystal structure of bis(mu(2)-thiocyanato)tetrakis(3,5-dimethyl-t(thiocarbamoy)pyrazole)dinickel(II) dichloride ethanol disolvate, [Ni(NCS)(2)(C6H6N3S)(4)] [Cl](2)center dot 2C(2)H(5)OH. in Zeitschrift fur Kristallographie = New Crystal Structures, 222(4), 430-432.
https://doi.org/10.1524/ncrs.2007.0182
Jacimovic ZK, Radović A, Leovac VM, Tomić ZD, Radosavjević Evans I. Crystal structure of bis(mu(2)-thiocyanato)tetrakis(3,5-dimethyl-t(thiocarbamoy)pyrazole)dinickel(II) dichloride ethanol disolvate, [Ni(NCS)(2)(C6H6N3S)(4)] [Cl](2)center dot 2C(2)H(5)OH. in Zeitschrift fur Kristallographie = New Crystal Structures. 2007;222(4):430-432.
doi:10.1524/ncrs.2007.0182 .
Jacimovic, Zeljko K., Radović, Ana, Leovac, Vukadin M., Tomić, Zoran D., Radosavjević Evans, Ivana, "Crystal structure of bis(mu(2)-thiocyanato)tetrakis(3,5-dimethyl-t(thiocarbamoy)pyrazole)dinickel(II) dichloride ethanol disolvate, [Ni(NCS)(2)(C6H6N3S)(4)] [Cl](2)center dot 2C(2)H(5)OH" in Zeitschrift fur Kristallographie = New Crystal Structures, 222, no. 4 (2007):430-432,
https://doi.org/10.1524/ncrs.2007.0182 . .
1
3
3

Transition metal complexes with pyrazole based ligands. Part 27. Structural and thermal characterization of cobalt(II) halide and pseudohalide complexes with 4-acetyl-3-amino-5-methylpyrazole

Leovac, Vukadin M.; Tomić, Zoran D.; Szecsenyi, Katalin Meszaros; Jovanović, Ljiljana S.; Joksović, Milan D.

(2007)

TY  - JOUR
AU  - Leovac, Vukadin M.
AU  - Tomić, Zoran D.
AU  - Szecsenyi, Katalin Meszaros
AU  - Jovanović, Ljiljana S.
AU  - Joksović, Milan D.
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3344
AB  - The crystal and molecular structures of four tetrahedral structurally similar [Co(aamp)(2)X-2] complexes (aamp = 4-acetyl-3-amino-5-methylpyrazole, X = Cl, Br, I and NCS) were determined by X-ray diffraction analysis and are discussed in detail. It was found that the different capacity of the ligand X (NCS vs. Cl, Br, I) for the formation of non-bonding contacts influence the mode of molecular association in the solid state. The complexes were characterized by UV-Vis spectroscopy. The first step of the thermal decomposition of the compounds was checked and is discussed in the view of the IR spectrum of the intermediate isolated from [Co(aamp)(2)Br-2] by the quasi-isothermal technique.
T2  - Journal of the Serbian Chemical Society
T1  - Transition metal complexes with pyrazole based ligands. Part 27. Structural and thermal characterization of cobalt(II) halide and pseudohalide complexes with 4-acetyl-3-amino-5-methylpyrazole
VL  - 72
IS  - 12
SP  - 1281
EP  - 1293
DO  - 10.2298/JSC0712281L
ER  - 
@article{
author = "Leovac, Vukadin M. and Tomić, Zoran D. and Szecsenyi, Katalin Meszaros and Jovanović, Ljiljana S. and Joksović, Milan D.",
year = "2007",
abstract = "The crystal and molecular structures of four tetrahedral structurally similar [Co(aamp)(2)X-2] complexes (aamp = 4-acetyl-3-amino-5-methylpyrazole, X = Cl, Br, I and NCS) were determined by X-ray diffraction analysis and are discussed in detail. It was found that the different capacity of the ligand X (NCS vs. Cl, Br, I) for the formation of non-bonding contacts influence the mode of molecular association in the solid state. The complexes were characterized by UV-Vis spectroscopy. The first step of the thermal decomposition of the compounds was checked and is discussed in the view of the IR spectrum of the intermediate isolated from [Co(aamp)(2)Br-2] by the quasi-isothermal technique.",
journal = "Journal of the Serbian Chemical Society",
title = "Transition metal complexes with pyrazole based ligands. Part 27. Structural and thermal characterization of cobalt(II) halide and pseudohalide complexes with 4-acetyl-3-amino-5-methylpyrazole",
volume = "72",
number = "12",
pages = "1281-1293",
doi = "10.2298/JSC0712281L"
}
Leovac, V. M., Tomić, Z. D., Szecsenyi, K. M., Jovanović, L. S.,& Joksović, M. D.. (2007). Transition metal complexes with pyrazole based ligands. Part 27. Structural and thermal characterization of cobalt(II) halide and pseudohalide complexes with 4-acetyl-3-amino-5-methylpyrazole. in Journal of the Serbian Chemical Society, 72(12), 1281-1293.
https://doi.org/10.2298/JSC0712281L
Leovac VM, Tomić ZD, Szecsenyi KM, Jovanović LS, Joksović MD. Transition metal complexes with pyrazole based ligands. Part 27. Structural and thermal characterization of cobalt(II) halide and pseudohalide complexes with 4-acetyl-3-amino-5-methylpyrazole. in Journal of the Serbian Chemical Society. 2007;72(12):1281-1293.
doi:10.2298/JSC0712281L .
Leovac, Vukadin M., Tomić, Zoran D., Szecsenyi, Katalin Meszaros, Jovanović, Ljiljana S., Joksović, Milan D., "Transition metal complexes with pyrazole based ligands. Part 27. Structural and thermal characterization of cobalt(II) halide and pseudohalide complexes with 4-acetyl-3-amino-5-methylpyrazole" in Journal of the Serbian Chemical Society, 72, no. 12 (2007):1281-1293,
https://doi.org/10.2298/JSC0712281L . .
3
5
5

Crystal structure of hexakis(mu(2)-chloro)-mu(4)-oxo-tetrakis((3,5-dimethylpyrazole)copper(II)) ethanol tetrasolvate,Cu4OCl6(C5H8N2)(4)center dot 4C(2)H(5)OH

Jacimovic, Zeljko K.; Leovac, Vukadin M.; Tomić, Zoran D.

(2007)

TY  - JOUR
AU  - Jacimovic, Zeljko K.
AU  - Leovac, Vukadin M.
AU  - Tomić, Zoran D.
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3341
AB  - C28H56Cl6Cu4N8O5, triclinic, P (1) over bar (no. 2), a = 8.863(1) angstrom, b = 13.939(8) angstrom, c = 17.06(1) angstrom, alpha = 81.67(5)degrees, beta = 85.68(3)degrees, gamma = 84.91(3)degrees, V = 2073.0 angstrom(3), Z = 2, R-gt(F) = 0.080, wR(ref)(F-2) = 0.194, T = 293 K.
T2  - Zeitschrift fur Kristallographie = New Crystal Structures
T1  - Crystal structure of hexakis(mu(2)-chloro)-mu(4)-oxo-tetrakis((3,5-dimethylpyrazole)copper(II)) ethanol tetrasolvate,Cu4OCl6(C5H8N2)(4)center dot 4C(2)H(5)OH
VL  - 222
IS  - 3
SP  - 246
EP  - 248
DO  - 10.1524/ncrs.2007.0103
ER  - 
@article{
author = "Jacimovic, Zeljko K. and Leovac, Vukadin M. and Tomić, Zoran D.",
year = "2007",
abstract = "C28H56Cl6Cu4N8O5, triclinic, P (1) over bar (no. 2), a = 8.863(1) angstrom, b = 13.939(8) angstrom, c = 17.06(1) angstrom, alpha = 81.67(5)degrees, beta = 85.68(3)degrees, gamma = 84.91(3)degrees, V = 2073.0 angstrom(3), Z = 2, R-gt(F) = 0.080, wR(ref)(F-2) = 0.194, T = 293 K.",
journal = "Zeitschrift fur Kristallographie = New Crystal Structures",
title = "Crystal structure of hexakis(mu(2)-chloro)-mu(4)-oxo-tetrakis((3,5-dimethylpyrazole)copper(II)) ethanol tetrasolvate,Cu4OCl6(C5H8N2)(4)center dot 4C(2)H(5)OH",
volume = "222",
number = "3",
pages = "246-248",
doi = "10.1524/ncrs.2007.0103"
}
Jacimovic, Z. K., Leovac, V. M.,& Tomić, Z. D.. (2007). Crystal structure of hexakis(mu(2)-chloro)-mu(4)-oxo-tetrakis((3,5-dimethylpyrazole)copper(II)) ethanol tetrasolvate,Cu4OCl6(C5H8N2)(4)center dot 4C(2)H(5)OH. in Zeitschrift fur Kristallographie = New Crystal Structures, 222(3), 246-248.
https://doi.org/10.1524/ncrs.2007.0103
Jacimovic ZK, Leovac VM, Tomić ZD. Crystal structure of hexakis(mu(2)-chloro)-mu(4)-oxo-tetrakis((3,5-dimethylpyrazole)copper(II)) ethanol tetrasolvate,Cu4OCl6(C5H8N2)(4)center dot 4C(2)H(5)OH. in Zeitschrift fur Kristallographie = New Crystal Structures. 2007;222(3):246-248.
doi:10.1524/ncrs.2007.0103 .
Jacimovic, Zeljko K., Leovac, Vukadin M., Tomić, Zoran D., "Crystal structure of hexakis(mu(2)-chloro)-mu(4)-oxo-tetrakis((3,5-dimethylpyrazole)copper(II)) ethanol tetrasolvate,Cu4OCl6(C5H8N2)(4)center dot 4C(2)H(5)OH" in Zeitschrift fur Kristallographie = New Crystal Structures, 222, no. 3 (2007):246-248,
https://doi.org/10.1524/ncrs.2007.0103 . .
3
8
8

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  - https://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 . .
60
58
62

Synthesis under self-controlled reaction conditions: Reaction of tetraamminezinc(II) chloride with 3,5-dimethyl-1-thiocarboxamide pyrazole

Kovacs, Attila; Meszaros Szecsenyi, Katalin; Leovac, Vukadin M.; Tomić, Zoran D.; Pokol, Gyoergy

(2007)

TY  - JOUR
AU  - Kovacs, Attila
AU  - Meszaros Szecsenyi, Katalin
AU  - Leovac, Vukadin M.
AU  - Tomić, Zoran D.
AU  - Pokol, Gyoergy
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3200
AB  - The trinuclear [Zn-3(Hdmpz)(2)(dmpz)(4)(NCS)(2)] complex (Hdmpz: 3,5-dimethylpyrazole) has been synthesized by the reaction of tetraamminezinc(II) chloride with 3,5-dimethyl-1-thiocarboxamidepyrazole. The ammonia evolving gradually from [Zn(NH3)(4)]Cl-2 ensured a mild gradually increasing basic pH during the synthesis which caused a cleavage of the 1-N-substituent. Moreover, the changing pH controlled the pyrazolate anion-neutral ligand equilibrium, and in this way the formation of the precipitate complex. The structure of the complex was investigated by X-ray diffraction and quantum chemical computations. The complex was characterized in detail by FT-IR-spectroscopy and thermal analysis. The bonding interactions between Zn2+ and the ligands were analysed on the basis of the computed data. (c) 2007 Elsevier B.V. All rights reserved.
T2  - Journal of Organometallic Chemistry
T1  - Synthesis under self-controlled reaction conditions: Reaction of tetraamminezinc(II) chloride with 3,5-dimethyl-1-thiocarboxamide pyrazole
VL  - 692
IS  - 12
SP  - 2582
EP  - 2592
DO  - 10.1016/j.jorganchem.2007.03.003
ER  - 
@article{
author = "Kovacs, Attila and Meszaros Szecsenyi, Katalin and Leovac, Vukadin M. and Tomić, Zoran D. and Pokol, Gyoergy",
year = "2007",
abstract = "The trinuclear [Zn-3(Hdmpz)(2)(dmpz)(4)(NCS)(2)] complex (Hdmpz: 3,5-dimethylpyrazole) has been synthesized by the reaction of tetraamminezinc(II) chloride with 3,5-dimethyl-1-thiocarboxamidepyrazole. The ammonia evolving gradually from [Zn(NH3)(4)]Cl-2 ensured a mild gradually increasing basic pH during the synthesis which caused a cleavage of the 1-N-substituent. Moreover, the changing pH controlled the pyrazolate anion-neutral ligand equilibrium, and in this way the formation of the precipitate complex. The structure of the complex was investigated by X-ray diffraction and quantum chemical computations. The complex was characterized in detail by FT-IR-spectroscopy and thermal analysis. The bonding interactions between Zn2+ and the ligands were analysed on the basis of the computed data. (c) 2007 Elsevier B.V. All rights reserved.",
journal = "Journal of Organometallic Chemistry",
title = "Synthesis under self-controlled reaction conditions: Reaction of tetraamminezinc(II) chloride with 3,5-dimethyl-1-thiocarboxamide pyrazole",
volume = "692",
number = "12",
pages = "2582-2592",
doi = "10.1016/j.jorganchem.2007.03.003"
}
Kovacs, A., Meszaros Szecsenyi, K., Leovac, V. M., Tomić, Z. D.,& Pokol, G.. (2007). Synthesis under self-controlled reaction conditions: Reaction of tetraamminezinc(II) chloride with 3,5-dimethyl-1-thiocarboxamide pyrazole. in Journal of Organometallic Chemistry, 692(12), 2582-2592.
https://doi.org/10.1016/j.jorganchem.2007.03.003
Kovacs A, Meszaros Szecsenyi K, Leovac VM, Tomić ZD, Pokol G. Synthesis under self-controlled reaction conditions: Reaction of tetraamminezinc(II) chloride with 3,5-dimethyl-1-thiocarboxamide pyrazole. in Journal of Organometallic Chemistry. 2007;692(12):2582-2592.
doi:10.1016/j.jorganchem.2007.03.003 .
Kovacs, Attila, Meszaros Szecsenyi, Katalin, Leovac, Vukadin M., Tomić, Zoran D., Pokol, Gyoergy, "Synthesis under self-controlled reaction conditions: Reaction of tetraamminezinc(II) chloride with 3,5-dimethyl-1-thiocarboxamide pyrazole" in Journal of Organometallic Chemistry, 692, no. 12 (2007):2582-2592,
https://doi.org/10.1016/j.jorganchem.2007.03.003 . .
9
11
12

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  - https://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  - https://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 . .
21
23
24

Structural and thermal characterization of Fe(III) and Fe(II) complexes with tridentate ono pyridoxal semicarbazone

Jacimovic, Z. K.; Leovac, Vukadin M.; Giester, Gerald; Tomić, Zoran D.; Szesenyi, Katalin Meszaros

(2007)

TY  - JOUR
AU  - Jacimovic, Z. K.
AU  - Leovac, Vukadin M.
AU  - Giester, Gerald
AU  - Tomić, Zoran D.
AU  - Szesenyi, Katalin Meszaros
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6705
AB  - Molecular and crystal structure of diaqua-sulphato(pyfidoxal semicarbazone-ONO)iron(II) and dichloroaqua(pyridoxal semicarbazone-ONO)iron(III) complexes with tridentate ONO pyridoxal sernicarbazone ligand, PLSC, of formula [Fe-II(PLSC)(H2O)(2)SO4] and [Fe-III(PLSC)(H2O)Cl-2]Cl is reported. Thermal decomposition of the compounds was followed in argon and air gas carriers. The deaquation mechanism is discussed in the view of the crystal structure, emphasizing the complexity of the related parameters and processes.
T2  - Journal of Thermal Analysis and Calorimetry
T1  - Structural and thermal characterization of Fe(III) and Fe(II) complexes with tridentate ono pyridoxal semicarbazone
VL  - 90
IS  - 2
SP  - 549
EP  - 555
DO  - 10.1007/s10973-006-8267-x
ER  - 
@article{
author = "Jacimovic, Z. K. and Leovac, Vukadin M. and Giester, Gerald and Tomić, Zoran D. and Szesenyi, Katalin Meszaros",
year = "2007",
abstract = "Molecular and crystal structure of diaqua-sulphato(pyfidoxal semicarbazone-ONO)iron(II) and dichloroaqua(pyridoxal semicarbazone-ONO)iron(III) complexes with tridentate ONO pyridoxal sernicarbazone ligand, PLSC, of formula [Fe-II(PLSC)(H2O)(2)SO4] and [Fe-III(PLSC)(H2O)Cl-2]Cl is reported. Thermal decomposition of the compounds was followed in argon and air gas carriers. The deaquation mechanism is discussed in the view of the crystal structure, emphasizing the complexity of the related parameters and processes.",
journal = "Journal of Thermal Analysis and Calorimetry",
title = "Structural and thermal characterization of Fe(III) and Fe(II) complexes with tridentate ono pyridoxal semicarbazone",
volume = "90",
number = "2",
pages = "549-555",
doi = "10.1007/s10973-006-8267-x"
}
Jacimovic, Z. K., Leovac, V. M., Giester, G., Tomić, Z. D.,& Szesenyi, K. M.. (2007). Structural and thermal characterization of Fe(III) and Fe(II) complexes with tridentate ono pyridoxal semicarbazone. in Journal of Thermal Analysis and Calorimetry, 90(2), 549-555.
https://doi.org/10.1007/s10973-006-8267-x
Jacimovic ZK, Leovac VM, Giester G, Tomić ZD, Szesenyi KM. Structural and thermal characterization of Fe(III) and Fe(II) complexes with tridentate ono pyridoxal semicarbazone. in Journal of Thermal Analysis and Calorimetry. 2007;90(2):549-555.
doi:10.1007/s10973-006-8267-x .
Jacimovic, Z. K., Leovac, Vukadin M., Giester, Gerald, Tomić, Zoran D., Szesenyi, Katalin Meszaros, "Structural and thermal characterization of Fe(III) and Fe(II) complexes with tridentate ono pyridoxal semicarbazone" in Journal of Thermal Analysis and Calorimetry, 90, no. 2 (2007):549-555,
https://doi.org/10.1007/s10973-006-8267-x . .
8
11
11

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  - https://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  - https://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 . .
79
80
80

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.

Structural, spectroscopic and computational studies of the HgL2Cl2 complex (L=3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L

Kovacs, A; Nemcsok, D; Pokol, G; Szecsenyi, KM; Leovac, Vukadin M.; Jacimovic, ZK; Radosavjević Evans, Ivana; Howard, JAK; Tomić, Zoran D.; Giester, Gerald

(2005)

TY  - JOUR
AU  - Kovacs, A
AU  - Nemcsok, D
AU  - Pokol, G
AU  - Szecsenyi, KM
AU  - Leovac, Vukadin M.
AU  - Jacimovic, ZK
AU  - Radosavjević Evans, Ivana
AU  - Howard, JAK
AU  - Tomić, Zoran D.
AU  - Giester, Gerald
PY  - 2005
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2895
AB  - In the present paper we report the synthesis as well as the structural and vibrational characterisation of the HgL2Cl2 complex ( L = 3,5-dimethyl-1-thiocarboxamide). The crystal and molecular structures of both L and the HgL2Cl2 complex were determined by single-crystal X-ray diffraction. The coordination propensity of L to HgCl2 was explored by quantum chemical calculations. We found the preference of the monodentate coordination of L to HgCl2 through the sulfur atom ( instead of the pyridine nitrogen) to be in agreement with Pearsons acid - base character of the atoms involved and the steric effects. The vibrational properties of HgL2Cl2 were evaluated by a joint FT-IR and quantum chemical analysis. In addition, the thermal decomposition of the complex and ligand is reported.
T2  - New Journal of Chemistry
T1  - Structural, spectroscopic and computational studies of the HgL2Cl2 complex (L=3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L
VL  - 29
IS  - 6
SP  - 833
EP  - 840
DO  - 10.1039/b416816j
ER  - 
@article{
author = "Kovacs, A and Nemcsok, D and Pokol, G and Szecsenyi, KM and Leovac, Vukadin M. and Jacimovic, ZK and Radosavjević Evans, Ivana and Howard, JAK and Tomić, Zoran D. and Giester, Gerald",
year = "2005",
abstract = "In the present paper we report the synthesis as well as the structural and vibrational characterisation of the HgL2Cl2 complex ( L = 3,5-dimethyl-1-thiocarboxamide). The crystal and molecular structures of both L and the HgL2Cl2 complex were determined by single-crystal X-ray diffraction. The coordination propensity of L to HgCl2 was explored by quantum chemical calculations. We found the preference of the monodentate coordination of L to HgCl2 through the sulfur atom ( instead of the pyridine nitrogen) to be in agreement with Pearsons acid - base character of the atoms involved and the steric effects. The vibrational properties of HgL2Cl2 were evaluated by a joint FT-IR and quantum chemical analysis. In addition, the thermal decomposition of the complex and ligand is reported.",
journal = "New Journal of Chemistry",
title = "Structural, spectroscopic and computational studies of the HgL2Cl2 complex (L=3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L",
volume = "29",
number = "6",
pages = "833-840",
doi = "10.1039/b416816j"
}
Kovacs, A., Nemcsok, D., Pokol, G., Szecsenyi, K., Leovac, V. M., Jacimovic, Z., Radosavjević Evans, I., Howard, J., Tomić, Z. D.,& Giester, G.. (2005). Structural, spectroscopic and computational studies of the HgL2Cl2 complex (L=3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L. in New Journal of Chemistry, 29(6), 833-840.
https://doi.org/10.1039/b416816j
Kovacs A, Nemcsok D, Pokol G, Szecsenyi K, Leovac VM, Jacimovic Z, Radosavjević Evans I, Howard J, Tomić ZD, Giester G. Structural, spectroscopic and computational studies of the HgL2Cl2 complex (L=3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L. in New Journal of Chemistry. 2005;29(6):833-840.
doi:10.1039/b416816j .
Kovacs, A, Nemcsok, D, Pokol, G, Szecsenyi, KM, Leovac, Vukadin M., Jacimovic, ZK, Radosavjević Evans, Ivana, Howard, JAK, Tomić, Zoran D., Giester, Gerald, "Structural, spectroscopic and computational studies of the HgL2Cl2 complex (L=3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L" in New Journal of Chemistry, 29, no. 6 (2005):833-840,
https://doi.org/10.1039/b416816j . .
23
27
27

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  - https://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