Spasojević-de Bire, Anne

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orcid::0000-0003-3819-3197
  • Spasojević-de Bire, Anne (9)
  • Spasojević-de Biré, Anne (9)
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Author's Bibliography

Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays

Bošnjaković-Pavlović, Nada; Xu, Xiao; Krstić, Danijela Z.; Gillet, Jean-Michel; Wei, Yongge; Wu, Pingfan; Čolović, Mirjana B.; Spasojević-de Biré, Anne

(2019)

TY  - JOUR
AU  - Bošnjaković-Pavlović, Nada
AU  - Xu, Xiao
AU  - Krstić, Danijela Z.
AU  - Gillet, Jean-Michel
AU  - Wei, Yongge
AU  - Wu, Pingfan
AU  - Čolović, Mirjana B.
AU  - Spasojević-de Biré, Anne
PY  - 2019
UR  - https://linkinghub.elsevier.com/retrieve/pii/S0162013418306998
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8355
AB  - The influence of three functionalized hexavanadates (V6): Na2 [V6O13{(OCH2)3CCH3}2], [H2]2 [V6O13{(OCH2)3CCH2OCOCH2CH3}2] and [(C4H9)4N]2 [V6O13{(OCH2)3CCH2OOC(CH3)2-COOH}2 on Na+/K+-ATPase activity, was investigated in vitro. Including compounds already tested by Xu et al. (Journal of Inorganic Biochemistry 161 (2016) 27–36), all functionalized hexavanadates inhibit the activity of Na+/K+-ATPase in a dose-dependent manner but with different inhibitory potencies. Na2 [V6O13{(OCH2)3CCH3}2] was found to have the best inhibition properties - showing 50% inhibition IC50 = 5.50 × 10−5 M, while [(C4H9)4N]2 [V6O13{(OCH2)3CCH2OOC(CH3)2-COOH}2] showed the lowest inhibitory power, IC50 = 1.31 × 10−4 M. In order to understand the bioactivity of functionalized hexavanadates series, we have also used a combined theoretical approach: determination of electrostatic potential from ab initio theoretical calculations and computation of the molecular interaction field (MIF) surface. © 2019
T2  - Journal of Inorganic Biochemistry
T1  - Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays
VL  - 198
SP  - 110720
DO  - 10.1016/j.jinorgbio.2019.110720
ER  - 
@article{
author = "Bošnjaković-Pavlović, Nada and Xu, Xiao and Krstić, Danijela Z. and Gillet, Jean-Michel and Wei, Yongge and Wu, Pingfan and Čolović, Mirjana B. and Spasojević-de Biré, Anne",
year = "2019",
abstract = "The influence of three functionalized hexavanadates (V6): Na2 [V6O13{(OCH2)3CCH3}2], [H2]2 [V6O13{(OCH2)3CCH2OCOCH2CH3}2] and [(C4H9)4N]2 [V6O13{(OCH2)3CCH2OOC(CH3)2-COOH}2 on Na+/K+-ATPase activity, was investigated in vitro. Including compounds already tested by Xu et al. (Journal of Inorganic Biochemistry 161 (2016) 27–36), all functionalized hexavanadates inhibit the activity of Na+/K+-ATPase in a dose-dependent manner but with different inhibitory potencies. Na2 [V6O13{(OCH2)3CCH3}2] was found to have the best inhibition properties - showing 50% inhibition IC50 = 5.50 × 10−5 M, while [(C4H9)4N]2 [V6O13{(OCH2)3CCH2OOC(CH3)2-COOH}2] showed the lowest inhibitory power, IC50 = 1.31 × 10−4 M. In order to understand the bioactivity of functionalized hexavanadates series, we have also used a combined theoretical approach: determination of electrostatic potential from ab initio theoretical calculations and computation of the molecular interaction field (MIF) surface. © 2019",
journal = "Journal of Inorganic Biochemistry",
title = "Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays",
volume = "198",
pages = "110720",
doi = "10.1016/j.jinorgbio.2019.110720"
}
Bošnjaković-Pavlović, N., Xu, X., Krstić, D. Z., Gillet, J., Wei, Y., Wu, P., Čolović, M. B.,& Spasojević-de Biré, A.. (2019). Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays. in Journal of Inorganic Biochemistry, 198, 110720.
https://doi.org/10.1016/j.jinorgbio.2019.110720
Bošnjaković-Pavlović N, Xu X, Krstić DZ, Gillet J, Wei Y, Wu P, Čolović MB, Spasojević-de Biré A. Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays. in Journal of Inorganic Biochemistry. 2019;198:110720.
doi:10.1016/j.jinorgbio.2019.110720 .
Bošnjaković-Pavlović, Nada, Xu, Xiao, Krstić, Danijela Z., Gillet, Jean-Michel, Wei, Yongge, Wu, Pingfan, Čolović, Mirjana B., Spasojević-de Biré, Anne, "Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays" in Journal of Inorganic Biochemistry, 198 (2019):110720,
https://doi.org/10.1016/j.jinorgbio.2019.110720 . .
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Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study

Xu, Xiao; Spasojević-de Bire, Anne; Ghermani, Nour Eddine; Wei, Yongge; Novaković, Slađana B.; Bošnjaković-Pavlović, Nada; Wu, Pingfan

(2017)

TY  - JOUR
AU  - Xu, Xiao
AU  - Spasojević-de Bire, Anne
AU  - Ghermani, Nour Eddine
AU  - Wei, Yongge
AU  - Novaković, Slađana B.
AU  - Bošnjaković-Pavlović, Nada
AU  - Wu, Pingfan
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1649
AB  - A high resolution X-ray diffraction study has been carried out on [(C4H9)(4)N](2) [V6O13{(OCH2)(3)CCH2OCCH2CH3}(2)] (V6-C3) at 100 K. The V6 core possesses a negative charge, leading to a strong polarization of the anion. A nucleophilic region localized near the organic moiety and an electrophilic region in the vicinity of the V6 core provide an overall description of charge-transfer behavior.
T2  - Physical Chemistry Chemical Physics
T1  - Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study
VL  - 19
IS  - 28
SP  - 18162
EP  - 18166
DO  - 10.1039/c7cp01840a
ER  - 
@article{
author = "Xu, Xiao and Spasojević-de Bire, Anne and Ghermani, Nour Eddine and Wei, Yongge and Novaković, Slađana B. and Bošnjaković-Pavlović, Nada and Wu, Pingfan",
year = "2017",
abstract = "A high resolution X-ray diffraction study has been carried out on [(C4H9)(4)N](2) [V6O13{(OCH2)(3)CCH2OCCH2CH3}(2)] (V6-C3) at 100 K. The V6 core possesses a negative charge, leading to a strong polarization of the anion. A nucleophilic region localized near the organic moiety and an electrophilic region in the vicinity of the V6 core provide an overall description of charge-transfer behavior.",
journal = "Physical Chemistry Chemical Physics",
title = "Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study",
volume = "19",
number = "28",
pages = "18162-18166",
doi = "10.1039/c7cp01840a"
}
Xu, X., Spasojević-de Bire, A., Ghermani, N. E., Wei, Y., Novaković, S. B., Bošnjaković-Pavlović, N.,& Wu, P.. (2017). Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study. in Physical Chemistry Chemical Physics, 19(28), 18162-18166.
https://doi.org/10.1039/c7cp01840a
Xu X, Spasojević-de Bire A, Ghermani NE, Wei Y, Novaković SB, Bošnjaković-Pavlović N, Wu P. Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study. in Physical Chemistry Chemical Physics. 2017;19(28):18162-18166.
doi:10.1039/c7cp01840a .
Xu, Xiao, Spasojević-de Bire, Anne, Ghermani, Nour Eddine, Wei, Yongge, Novaković, Slađana B., Bošnjaković-Pavlović, Nada, Wu, Pingfan, "Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study" in Physical Chemistry Chemical Physics, 19, no. 28 (2017):18162-18166,
https://doi.org/10.1039/c7cp01840a . .
1
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A combined crystallographic analysis and ab initio calculations to interpret the reactivity of functionalized hexavanadates and their inhibitor potency toward Na+/K+-ATPase

Xu, Xiao; Bošnjaković-Pavlović, Nada; Čolović, Mirjana B.; Krstić, Danijela Z.; Vasić, Vesna M.; Gillet, Jean-Michel; Wu, Pingfan; Wei, Yongge; Spasojević-de Bire, Anne

(2016)

TY  - JOUR
AU  - Xu, Xiao
AU  - Bošnjaković-Pavlović, Nada
AU  - Čolović, Mirjana B.
AU  - Krstić, Danijela Z.
AU  - Vasić, Vesna M.
AU  - Gillet, Jean-Michel
AU  - Wu, Pingfan
AU  - Wei, Yongge
AU  - Spasojević-de Bire, Anne
PY  - 2016
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1158
AB  - In vitro influence of five synthesized functionalized hexavanadates (V-6) on commercial porcine cerebral cortex Na+/K+-ATPase activity has been studied. Dose dependent Na+/K+-ATPase inhibition was obtained for all investigated compounds. Calculated half maximal inhibitory concentration IC50 values, in mol/L, for Na+/K+-ATPase were 7.6 x 10(-5), 1.8 x 10(-5), 2.9 x 10(-5), 5.5 x 10(-5) for functionalized hexavanadates (V-6) with tetrabutylammonium (TBA) [V-6-CH3][TBA](2), [V-6-NO2][TBA](2), [V-6-OH][TBA](2) and [V-6-C-3][TBA](2) respectively. [V-6-OH][Na](2) inhibited Na+/K+-ATPase activity up to 30% at maximal investigated concentration 1 x 10(-3) mol/L. This reactivity has been interpreted using a study of the non-covalent interactions of functionalized hexavanadate hybrids through Cambridge Structural Database (CSD) analysis. Bibliographic searching has led to 18 different structures and 99 contacts. We have observed that C-H center dot center dot center dot O contacts consolidate the structures. We have also performed density functional theory (DFT) calculations and have determined electrostatic potential values at the molecular surface on a series of functionalized V-6. These results enlightened their chemical reactivity and their potential biological applications such as the inhibition of the ATPase. (C) 2016 Elsevier Inc. All rights reserved.
T2  - Journal of Inorganic Biochemistry
T1  - A combined crystallographic analysis and ab initio calculations to interpret the reactivity of functionalized hexavanadates and their inhibitor potency toward Na+/K+-ATPase
VL  - 161
SP  - 27
EP  - 36
DO  - 10.1016/j.jinorgbio.2016.04.029
ER  - 
@article{
author = "Xu, Xiao and Bošnjaković-Pavlović, Nada and Čolović, Mirjana B. and Krstić, Danijela Z. and Vasić, Vesna M. and Gillet, Jean-Michel and Wu, Pingfan and Wei, Yongge and Spasojević-de Bire, Anne",
year = "2016",
abstract = "In vitro influence of five synthesized functionalized hexavanadates (V-6) on commercial porcine cerebral cortex Na+/K+-ATPase activity has been studied. Dose dependent Na+/K+-ATPase inhibition was obtained for all investigated compounds. Calculated half maximal inhibitory concentration IC50 values, in mol/L, for Na+/K+-ATPase were 7.6 x 10(-5), 1.8 x 10(-5), 2.9 x 10(-5), 5.5 x 10(-5) for functionalized hexavanadates (V-6) with tetrabutylammonium (TBA) [V-6-CH3][TBA](2), [V-6-NO2][TBA](2), [V-6-OH][TBA](2) and [V-6-C-3][TBA](2) respectively. [V-6-OH][Na](2) inhibited Na+/K+-ATPase activity up to 30% at maximal investigated concentration 1 x 10(-3) mol/L. This reactivity has been interpreted using a study of the non-covalent interactions of functionalized hexavanadate hybrids through Cambridge Structural Database (CSD) analysis. Bibliographic searching has led to 18 different structures and 99 contacts. We have observed that C-H center dot center dot center dot O contacts consolidate the structures. We have also performed density functional theory (DFT) calculations and have determined electrostatic potential values at the molecular surface on a series of functionalized V-6. These results enlightened their chemical reactivity and their potential biological applications such as the inhibition of the ATPase. (C) 2016 Elsevier Inc. All rights reserved.",
journal = "Journal of Inorganic Biochemistry",
title = "A combined crystallographic analysis and ab initio calculations to interpret the reactivity of functionalized hexavanadates and their inhibitor potency toward Na+/K+-ATPase",
volume = "161",
pages = "27-36",
doi = "10.1016/j.jinorgbio.2016.04.029"
}
Xu, X., Bošnjaković-Pavlović, N., Čolović, M. B., Krstić, D. Z., Vasić, V. M., Gillet, J., Wu, P., Wei, Y.,& Spasojević-de Bire, A.. (2016). A combined crystallographic analysis and ab initio calculations to interpret the reactivity of functionalized hexavanadates and their inhibitor potency toward Na+/K+-ATPase. in Journal of Inorganic Biochemistry, 161, 27-36.
https://doi.org/10.1016/j.jinorgbio.2016.04.029
Xu X, Bošnjaković-Pavlović N, Čolović MB, Krstić DZ, Vasić VM, Gillet J, Wu P, Wei Y, Spasojević-de Bire A. A combined crystallographic analysis and ab initio calculations to interpret the reactivity of functionalized hexavanadates and their inhibitor potency toward Na+/K+-ATPase. in Journal of Inorganic Biochemistry. 2016;161:27-36.
doi:10.1016/j.jinorgbio.2016.04.029 .
Xu, Xiao, Bošnjaković-Pavlović, Nada, Čolović, Mirjana B., Krstić, Danijela Z., Vasić, Vesna M., Gillet, Jean-Michel, Wu, Pingfan, Wei, Yongge, Spasojević-de Bire, Anne, "A combined crystallographic analysis and ab initio calculations to interpret the reactivity of functionalized hexavanadates and their inhibitor potency toward Na+/K+-ATPase" in Journal of Inorganic Biochemistry, 161 (2016):27-36,
https://doi.org/10.1016/j.jinorgbio.2016.04.029 . .
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Influence of decavanadate on rat synaptic plasma membrane ATPases activity

Krstić, Danijela Z.; Čolović, Mirjana B.; Bošnjaković-Pavlović, Nada; Spasojević-de Biré, Anne; Vasić, Vesna M.

(2009)

TY  - JOUR
AU  - Krstić, Danijela Z.
AU  - Čolović, Mirjana B.
AU  - Bošnjaković-Pavlović, Nada
AU  - Spasojević-de Biré, Anne
AU  - Vasić, Vesna M.
PY  - 2009
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3840
AB  - The in vitro influence of decameric vanadate species on Na(+)/K(+)-ATPase, plasma membrane Ca(2+)-ATPase (PMCA)-calcium pump and ecto-ATPase activity, using rat synaptic plasma membrane (SPM) as model system was investigated, whereas the commercial porcine cerebral cortex Na(+)/K(+)-ATPase served as a reference. The thermal behaviour of the synthesized decavanadate (V(10)) has been studied by differential scanning calorimetry and thermogravimetric analysis, while the type of polyvanadate anion was identified using the IR spectroscopy. The concentration-dependent responses to V(10) of all enzymes were obtained. The half-maximum inhibitory concentration (IC(50)) of the enzyme activity was achieved at (4.74 +/- 1.15) x 10(-7) mol/l for SPM Na(+)/K(+)-ATPase, (1.30 +/- 0.10) x 10(-6) mol/l for commercial Na(+)/K(+)-ATPase and (3.13 +/- 1.70) x 10(-8) mol/l for Ca(2+)-ATPase, while ecto-ATPase is significantly less sensitive toward V(10) (IC(50) = (1.05 +/- 0.10) x 10(-4) mol/l) than investigated P-type ATPases. Kinetic analysis showed that V(10) inhibited Na(+)/K(+)-ATPase by reducing the maximum enzymatic velocity and apparent affinity for ATP (increasing K(m) value), implying a mixed mode of interaction between V(10) and P-type ATPases.
T2  - General Physiology and Biophysics
T1  - Influence of decavanadate on rat synaptic plasma membrane ATPases activity
VL  - 28
IS  - 3
SP  - 302
EP  - 308
DO  - 10.4149/gpb_2009_03_302
ER  - 
@article{
author = "Krstić, Danijela Z. and Čolović, Mirjana B. and Bošnjaković-Pavlović, Nada and Spasojević-de Biré, Anne and Vasić, Vesna M.",
year = "2009",
abstract = "The in vitro influence of decameric vanadate species on Na(+)/K(+)-ATPase, plasma membrane Ca(2+)-ATPase (PMCA)-calcium pump and ecto-ATPase activity, using rat synaptic plasma membrane (SPM) as model system was investigated, whereas the commercial porcine cerebral cortex Na(+)/K(+)-ATPase served as a reference. The thermal behaviour of the synthesized decavanadate (V(10)) has been studied by differential scanning calorimetry and thermogravimetric analysis, while the type of polyvanadate anion was identified using the IR spectroscopy. The concentration-dependent responses to V(10) of all enzymes were obtained. The half-maximum inhibitory concentration (IC(50)) of the enzyme activity was achieved at (4.74 +/- 1.15) x 10(-7) mol/l for SPM Na(+)/K(+)-ATPase, (1.30 +/- 0.10) x 10(-6) mol/l for commercial Na(+)/K(+)-ATPase and (3.13 +/- 1.70) x 10(-8) mol/l for Ca(2+)-ATPase, while ecto-ATPase is significantly less sensitive toward V(10) (IC(50) = (1.05 +/- 0.10) x 10(-4) mol/l) than investigated P-type ATPases. Kinetic analysis showed that V(10) inhibited Na(+)/K(+)-ATPase by reducing the maximum enzymatic velocity and apparent affinity for ATP (increasing K(m) value), implying a mixed mode of interaction between V(10) and P-type ATPases.",
journal = "General Physiology and Biophysics",
title = "Influence of decavanadate on rat synaptic plasma membrane ATPases activity",
volume = "28",
number = "3",
pages = "302-308",
doi = "10.4149/gpb_2009_03_302"
}
Krstić, D. Z., Čolović, M. B., Bošnjaković-Pavlović, N., Spasojević-de Biré, A.,& Vasić, V. M.. (2009). Influence of decavanadate on rat synaptic plasma membrane ATPases activity. in General Physiology and Biophysics, 28(3), 302-308.
https://doi.org/10.4149/gpb_2009_03_302
Krstić DZ, Čolović MB, Bošnjaković-Pavlović N, Spasojević-de Biré A, Vasić VM. Influence of decavanadate on rat synaptic plasma membrane ATPases activity. in General Physiology and Biophysics. 2009;28(3):302-308.
doi:10.4149/gpb_2009_03_302 .
Krstić, Danijela Z., Čolović, Mirjana B., Bošnjaković-Pavlović, Nada, Spasojević-de Biré, Anne, Vasić, Vesna M., "Influence of decavanadate on rat synaptic plasma membrane ATPases activity" in General Physiology and Biophysics, 28, no. 3 (2009):302-308,
https://doi.org/10.4149/gpb_2009_03_302 . .
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Influence of decavanadate on rat synaptic plasma membrane atpases activity

Krstić, Danijela Z.; Čolović, Mirjana B.; Bošnjaković-Pavlović, Nada; Spasojević-de Biré, Anne; Vasić, Vesna M.

(Society of Physical Chemists of Serbia, 2008)

TY  - CONF
AU  - Krstić, Danijela Z.
AU  - Čolović, Mirjana B.
AU  - Bošnjaković-Pavlović, Nada
AU  - Spasojević-de Biré, Anne
AU  - Vasić, Vesna M.
PY  - 2008
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9369
AB  - The in vitro influence of decameric vanadate species on Na+/K+_ATPase, plasma membrane Ca2+-ATPase (PMCA)-calcium pump and ecto-ATPase activity, using rat synaptic plasma membrane (SPM) as a model system was investigated. The concentration-dependent responses to decavanadate of these enzymes were obtained. The half-maximum inhibition (IC50) of the enzyme activity was achieved at (4.74 ± 1.15) x 10-7mol/l for Na+/K+_ATPase and (3.13 ± 1.70) x 10-8 mol/l for Ca2+-ATPase, while ecto-ATPase is significantly less sensitive toward decavanadate (IC50- (1.05 ± 0.10) x 10-4 mol/l) than investigated P-type ATPases.
PB  - Society of Physical Chemists of Serbia
C3  - Physical chemistry 2008 : 9th international conference on fundamental and applied aspects of physical chemistry
T1  - Influence of decavanadate on rat synaptic plasma membrane atpases activity
VL  - 1
SP  - 363
EP  - 365
ER  - 
@conference{
author = "Krstić, Danijela Z. and Čolović, Mirjana B. and Bošnjaković-Pavlović, Nada and Spasojević-de Biré, Anne and Vasić, Vesna M.",
year = "2008",
abstract = "The in vitro influence of decameric vanadate species on Na+/K+_ATPase, plasma membrane Ca2+-ATPase (PMCA)-calcium pump and ecto-ATPase activity, using rat synaptic plasma membrane (SPM) as a model system was investigated. The concentration-dependent responses to decavanadate of these enzymes were obtained. The half-maximum inhibition (IC50) of the enzyme activity was achieved at (4.74 ± 1.15) x 10-7mol/l for Na+/K+_ATPase and (3.13 ± 1.70) x 10-8 mol/l for Ca2+-ATPase, while ecto-ATPase is significantly less sensitive toward decavanadate (IC50- (1.05 ± 0.10) x 10-4 mol/l) than investigated P-type ATPases.",
publisher = "Society of Physical Chemists of Serbia",
journal = "Physical chemistry 2008 : 9th international conference on fundamental and applied aspects of physical chemistry",
title = "Influence of decavanadate on rat synaptic plasma membrane atpases activity",
volume = "1",
pages = "363-365"
}
Krstić, D. Z., Čolović, M. B., Bošnjaković-Pavlović, N., Spasojević-de Biré, A.,& Vasić, V. M.. (2008). Influence of decavanadate on rat synaptic plasma membrane atpases activity. in Physical chemistry 2008 : 9th international conference on fundamental and applied aspects of physical chemistry
Society of Physical Chemists of Serbia., 1, 363-365.
Krstić DZ, Čolović MB, Bošnjaković-Pavlović N, Spasojević-de Biré A, Vasić VM. Influence of decavanadate on rat synaptic plasma membrane atpases activity. in Physical chemistry 2008 : 9th international conference on fundamental and applied aspects of physical chemistry. 2008;1:363-365..
Krstić, Danijela Z., Čolović, Mirjana B., Bošnjaković-Pavlović, Nada, Spasojević-de Biré, Anne, Vasić, Vesna M., "Influence of decavanadate on rat synaptic plasma membrane atpases activity" in Physical chemistry 2008 : 9th international conference on fundamental and applied aspects of physical chemistry, 1 (2008):363-365.

Topological features of both electron density and electrostatic potential in the bis(thiosemicarbazide)zinc(II) dinitrate complex

Novaković, Slađana B.; Bogdanović, Goran A.; Fraisse, Bernard; Ghermani, Nour Eddine; Bouhmaida, Nouzha; Spasojević-de Biré, Anne

(2007)

TY  - JOUR
AU  - Novaković, Slađana B.
AU  - Bogdanović, Goran A.
AU  - Fraisse, Bernard
AU  - Ghermani, Nour Eddine
AU  - Bouhmaida, Nouzha
AU  - Spasojević-de Biré, Anne
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3333
AB  - The experimental electron density of the bis(thiosemicarbazide)zinc(II) dinitrate complex, [Zn(CH5N3S)(2)]-(NO3)(2),was studied. The Hansen-Coppens multipole model was used to extract the electron density from high-resolution X-ray diffraction data collected at 100 K. Careful strategies were designed for the electron density refinements regarding the charge transfer between the anionic and the cationic parts of the complex. Particular attention was also paid to the treatment of the electron density of the zinc atom interacting with two thiosemicarbazide ligands in a tetrahedral coordination. Nevertheless, the filled 3d valence shell of Zn was found unperturbed, and only the 4s shell was engaged in the metal-ligand interaction. Topological properties of both electron density and electrostatic potential, including kinetic and potential energy densities, and atomic charges were reported to quantify a metal-ligand complex with particular Zn-S and Zn-N bonds and hydrogen-bonding features. Chemical activities were screened through the molecular surface on which the three-dimensional electrostatic potential function was projected. The experimental results were compared to those obtained from gas-phase quantum calculations, and a good agreement was reached between these two approaches. Finally, among other electrostatic potential critical points, the values at the maxima Zn corresponding to the nuclear sites were used as indices of the hydrogen-bonding capacity of the thiosemicarbazide ligand.
T2  - Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory
T1  - Topological features of both electron density and electrostatic potential in the bis(thiosemicarbazide)zinc(II) dinitrate complex
VL  - 111
IS  - 51
SP  - 13492
EP  - 13505
DO  - 10.1021/jp075456i
ER  - 
@article{
author = "Novaković, Slađana B. and Bogdanović, Goran A. and Fraisse, Bernard and Ghermani, Nour Eddine and Bouhmaida, Nouzha and Spasojević-de Biré, Anne",
year = "2007",
abstract = "The experimental electron density of the bis(thiosemicarbazide)zinc(II) dinitrate complex, [Zn(CH5N3S)(2)]-(NO3)(2),was studied. The Hansen-Coppens multipole model was used to extract the electron density from high-resolution X-ray diffraction data collected at 100 K. Careful strategies were designed for the electron density refinements regarding the charge transfer between the anionic and the cationic parts of the complex. Particular attention was also paid to the treatment of the electron density of the zinc atom interacting with two thiosemicarbazide ligands in a tetrahedral coordination. Nevertheless, the filled 3d valence shell of Zn was found unperturbed, and only the 4s shell was engaged in the metal-ligand interaction. Topological properties of both electron density and electrostatic potential, including kinetic and potential energy densities, and atomic charges were reported to quantify a metal-ligand complex with particular Zn-S and Zn-N bonds and hydrogen-bonding features. Chemical activities were screened through the molecular surface on which the three-dimensional electrostatic potential function was projected. The experimental results were compared to those obtained from gas-phase quantum calculations, and a good agreement was reached between these two approaches. Finally, among other electrostatic potential critical points, the values at the maxima Zn corresponding to the nuclear sites were used as indices of the hydrogen-bonding capacity of the thiosemicarbazide ligand.",
journal = "Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory",
title = "Topological features of both electron density and electrostatic potential in the bis(thiosemicarbazide)zinc(II) dinitrate complex",
volume = "111",
number = "51",
pages = "13492-13505",
doi = "10.1021/jp075456i"
}
Novaković, S. B., Bogdanović, G. A., Fraisse, B., Ghermani, N. E., Bouhmaida, N.,& Spasojević-de Biré, A.. (2007). Topological features of both electron density and electrostatic potential in the bis(thiosemicarbazide)zinc(II) dinitrate complex. in Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 111(51), 13492-13505.
https://doi.org/10.1021/jp075456i
Novaković SB, Bogdanović GA, Fraisse B, Ghermani NE, Bouhmaida N, Spasojević-de Biré A. Topological features of both electron density and electrostatic potential in the bis(thiosemicarbazide)zinc(II) dinitrate complex. in Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 2007;111(51):13492-13505.
doi:10.1021/jp075456i .
Novaković, Slađana B., Bogdanović, Goran A., Fraisse, Bernard, Ghermani, Nour Eddine, Bouhmaida, Nouzha, Spasojević-de Biré, Anne, "Topological features of both electron density and electrostatic potential in the bis(thiosemicarbazide)zinc(II) dinitrate complex" in Journal of Physical Chemistry. Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 111, no. 51 (2007):13492-13505,
https://doi.org/10.1021/jp075456i . .
24
27
26

Low temperature crystal structure, experimental atomic charges and electrostatic potential of ammonium decavanadate hexahydrate (NH4)V10O28 center dot 6H(2)O

Bogdanović, Goran A.; Bonjakovic-Pavlović, Nada; Spasojević-de Biré, Anne; Ghermani, Nour Eddine; Mioč, Ubavka B.

(2007)

TY  - JOUR
AU  - Bogdanović, Goran A.
AU  - Bonjakovic-Pavlović, Nada
AU  - Spasojević-de Biré, Anne
AU  - Ghermani, Nour Eddine
AU  - Mioč, Ubavka B.
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3220
AB  - The X-ray structure of ammonium decavanadate hexahydrate was redetermined at a low temperature (100 K) in order to locate the hydrogen sites and to study the hydrogen bonds. The hydrogen atoms were assigned to the appropriate atomic group, NH4+ cations, and water molecules, missing to the best of our knowledge in the literature. A kappa refinement was performed to estimate the experimental atomic charges. These charges were used to generale the electrostatic potential on the molecular surfaces of decavanadate polyanions isolated from the influence of the crystal lattice. Comparisons with previous theoretical (ab initio) calculations were made and are also discussed.
T2  - Journal of the Serbian Chemical Society
T1  - Low temperature crystal structure, experimental atomic charges and electrostatic potential of ammonium decavanadate hexahydrate (NH4)V10O28 center dot 6H(2)O
VL  - 72
IS  - 6
SP  - 545
EP  - 554
DO  - 10.2298/JSC0706545B
ER  - 
@article{
author = "Bogdanović, Goran A. and Bonjakovic-Pavlović, Nada and Spasojević-de Biré, Anne and Ghermani, Nour Eddine and Mioč, Ubavka B.",
year = "2007",
abstract = "The X-ray structure of ammonium decavanadate hexahydrate was redetermined at a low temperature (100 K) in order to locate the hydrogen sites and to study the hydrogen bonds. The hydrogen atoms were assigned to the appropriate atomic group, NH4+ cations, and water molecules, missing to the best of our knowledge in the literature. A kappa refinement was performed to estimate the experimental atomic charges. These charges were used to generale the electrostatic potential on the molecular surfaces of decavanadate polyanions isolated from the influence of the crystal lattice. Comparisons with previous theoretical (ab initio) calculations were made and are also discussed.",
journal = "Journal of the Serbian Chemical Society",
title = "Low temperature crystal structure, experimental atomic charges and electrostatic potential of ammonium decavanadate hexahydrate (NH4)V10O28 center dot 6H(2)O",
volume = "72",
number = "6",
pages = "545-554",
doi = "10.2298/JSC0706545B"
}
Bogdanović, G. A., Bonjakovic-Pavlović, N., Spasojević-de Biré, A., Ghermani, N. E.,& Mioč, U. B.. (2007). Low temperature crystal structure, experimental atomic charges and electrostatic potential of ammonium decavanadate hexahydrate (NH4)V10O28 center dot 6H(2)O. in Journal of the Serbian Chemical Society, 72(6), 545-554.
https://doi.org/10.2298/JSC0706545B
Bogdanović GA, Bonjakovic-Pavlović N, Spasojević-de Biré A, Ghermani NE, Mioč UB. Low temperature crystal structure, experimental atomic charges and electrostatic potential of ammonium decavanadate hexahydrate (NH4)V10O28 center dot 6H(2)O. in Journal of the Serbian Chemical Society. 2007;72(6):545-554.
doi:10.2298/JSC0706545B .
Bogdanović, Goran A., Bonjakovic-Pavlović, Nada, Spasojević-de Biré, Anne, Ghermani, Nour Eddine, Mioč, Ubavka B., "Low temperature crystal structure, experimental atomic charges and electrostatic potential of ammonium decavanadate hexahydrate (NH4)V10O28 center dot 6H(2)O" in Journal of the Serbian Chemical Society, 72, no. 6 (2007):545-554,
https://doi.org/10.2298/JSC0706545B . .
6
6
6

Crystal structure of tris(pyridine)(salicylaldehyde semicarbazonato(2-))cobalt(III)-trichloropyridinecobaltate(II) at 293 and 120 K

Bogdanović, Goran A.; Leovac, Vukadin M.; Vojinović-Ješić, Ljiljana S.; Spasojević-de Biré, Anne

(2007)

TY  - JOUR
AU  - Bogdanović, Goran A.
AU  - Leovac, Vukadin M.
AU  - Vojinović-Ješić, Ljiljana S.
AU  - Spasojević-de Biré, Anne
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3160
AB  - The crystal structure of [Co-III(L)(py)(3)][(CoCl3)-Cl-II(py)] (H2L = salicylaldehyde. semicarbazone) was determined by X-ray analysis based oil two single crystal X-ray experiments performed at 120 K and 293 K. respectively. It was found that the pyridine ligand of the complex anion is disordered over two positions. The preferential position of this pyridine found at 120 K was explained in terms of the C-H...Cl intermolecular interaction between the tetrahedral [Co-II(py)Cl-3](-) anions. The mer-octahedral geometry of the cation in the presented crystal structure was compared with previously published structures of similar composition, [Co-III(L-I)(py)(3)](+)[(CoCl3)-Cl-II(py)]-.EtOH and [Co-III(L-I)(py)(3)]I-+(3)- (H2LI = salicylaldehyde S-methylisothiosemicarbazone). Although the tetrahedral [(CoCl3)-Cl-II(py)](-) anions possess the same charge, they i-mutually form different intermolecular interactions which can be realized either by C-H...Cl hydrogn bonds or by pi-pi interactions between the pyridine rings.
T2  - Journal of the Serbian Chemical Society
T1  - Crystal structure of tris(pyridine)(salicylaldehyde semicarbazonato(2-))cobalt(III)-trichloropyridinecobaltate(II) at 293 and 120 K
VL  - 72
IS  - 1
SP  - 63
EP  - 71
DO  - 10.2298/JSC0701063B
ER  - 
@article{
author = "Bogdanović, Goran A. and Leovac, Vukadin M. and Vojinović-Ješić, Ljiljana S. and Spasojević-de Biré, Anne",
year = "2007",
abstract = "The crystal structure of [Co-III(L)(py)(3)][(CoCl3)-Cl-II(py)] (H2L = salicylaldehyde. semicarbazone) was determined by X-ray analysis based oil two single crystal X-ray experiments performed at 120 K and 293 K. respectively. It was found that the pyridine ligand of the complex anion is disordered over two positions. The preferential position of this pyridine found at 120 K was explained in terms of the C-H...Cl intermolecular interaction between the tetrahedral [Co-II(py)Cl-3](-) anions. The mer-octahedral geometry of the cation in the presented crystal structure was compared with previously published structures of similar composition, [Co-III(L-I)(py)(3)](+)[(CoCl3)-Cl-II(py)]-.EtOH and [Co-III(L-I)(py)(3)]I-+(3)- (H2LI = salicylaldehyde S-methylisothiosemicarbazone). Although the tetrahedral [(CoCl3)-Cl-II(py)](-) anions possess the same charge, they i-mutually form different intermolecular interactions which can be realized either by C-H...Cl hydrogn bonds or by pi-pi interactions between the pyridine rings.",
journal = "Journal of the Serbian Chemical Society",
title = "Crystal structure of tris(pyridine)(salicylaldehyde semicarbazonato(2-))cobalt(III)-trichloropyridinecobaltate(II) at 293 and 120 K",
volume = "72",
number = "1",
pages = "63-71",
doi = "10.2298/JSC0701063B"
}
Bogdanović, G. A., Leovac, V. M., Vojinović-Ješić, L. S.,& Spasojević-de Biré, A.. (2007). Crystal structure of tris(pyridine)(salicylaldehyde semicarbazonato(2-))cobalt(III)-trichloropyridinecobaltate(II) at 293 and 120 K. in Journal of the Serbian Chemical Society, 72(1), 63-71.
https://doi.org/10.2298/JSC0701063B
Bogdanović GA, Leovac VM, Vojinović-Ješić LS, Spasojević-de Biré A. Crystal structure of tris(pyridine)(salicylaldehyde semicarbazonato(2-))cobalt(III)-trichloropyridinecobaltate(II) at 293 and 120 K. in Journal of the Serbian Chemical Society. 2007;72(1):63-71.
doi:10.2298/JSC0701063B .
Bogdanović, Goran A., Leovac, Vukadin M., Vojinović-Ješić, Ljiljana S., Spasojević-de Biré, Anne, "Crystal structure of tris(pyridine)(salicylaldehyde semicarbazonato(2-))cobalt(III)-trichloropyridinecobaltate(II) at 293 and 120 K" in Journal of the Serbian Chemical Society, 72, no. 1 (2007):63-71,
https://doi.org/10.2298/JSC0701063B . .
4
2
3

Experimental charge density evidence for the existence of high polarizability of the electron density of the free electron pairs on the sulfur atom of the thioureido group, NH-C(S)-NH2, induced by N-H center dot center dot center dot S and C-H center dot center dot center dot S interactions

Novaković, Slađana B.; Fraisse, Bernard; Bogdanović, Goran A.; Spasojević-de Biré, Anne

(2007)

TY  - JOUR
AU  - Novaković, Slađana B.
AU  - Fraisse, Bernard
AU  - Bogdanović, Goran A.
AU  - Spasojević-de Biré, Anne
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3151
AB  - The experimental charge density study of salicylaldehyde thiosemicarbazone (SalTSC) has been performed. The analysis of the crystal packing revealed that the sulfur atom is simultaneously engaged in six hydrogen-bonding interactions, two of the N-H center dot center dot center dot S and four of the C-H center dot center dot center dot S type. The strongest hydrogen bond, N2-H2n center dot center dot center dot S, leads to a centrosymmetric dimer. It has been established that the deformation density of the free electron pairs on the sulfur atom is inhomogeneously distributed within a torus. A relationship found between the deformation of the torus and the space directionality of the surrounding donor groups suggests that the sulfur atom of the thioureido moiety easily adjusts to the environment in order to increase the number of stabilizing contacts. A CSD study of the compounds containing a thioureido fragment, N-C(S)-N, confirmed the experimental results for SalTSC, i.e., about 60% of the 835 analyzed crystal structures form a dimer trough N-H center dot center dot center dot S interactions, whereas in about 50% of crystal structures, the S atom forms four of more D-H center dot center dot center dot S intermolecular interactions (D = C, N, or O).
T2  - Crystal Growth and Design
T1  - Experimental charge density evidence for the existence of high polarizability of the electron density of the free electron pairs on the sulfur atom of the thioureido group, NH-C(S)-NH2, induced by N-H center dot center dot center dot S and C-H center dot center dot center dot S interactions
VL  - 7
IS  - 2
SP  - 191
EP  - 195
DO  - 10.1021/cg060497+
ER  - 
@article{
author = "Novaković, Slađana B. and Fraisse, Bernard and Bogdanović, Goran A. and Spasojević-de Biré, Anne",
year = "2007",
abstract = "The experimental charge density study of salicylaldehyde thiosemicarbazone (SalTSC) has been performed. The analysis of the crystal packing revealed that the sulfur atom is simultaneously engaged in six hydrogen-bonding interactions, two of the N-H center dot center dot center dot S and four of the C-H center dot center dot center dot S type. The strongest hydrogen bond, N2-H2n center dot center dot center dot S, leads to a centrosymmetric dimer. It has been established that the deformation density of the free electron pairs on the sulfur atom is inhomogeneously distributed within a torus. A relationship found between the deformation of the torus and the space directionality of the surrounding donor groups suggests that the sulfur atom of the thioureido moiety easily adjusts to the environment in order to increase the number of stabilizing contacts. A CSD study of the compounds containing a thioureido fragment, N-C(S)-N, confirmed the experimental results for SalTSC, i.e., about 60% of the 835 analyzed crystal structures form a dimer trough N-H center dot center dot center dot S interactions, whereas in about 50% of crystal structures, the S atom forms four of more D-H center dot center dot center dot S intermolecular interactions (D = C, N, or O).",
journal = "Crystal Growth and Design",
title = "Experimental charge density evidence for the existence of high polarizability of the electron density of the free electron pairs on the sulfur atom of the thioureido group, NH-C(S)-NH2, induced by N-H center dot center dot center dot S and C-H center dot center dot center dot S interactions",
volume = "7",
number = "2",
pages = "191-195",
doi = "10.1021/cg060497+"
}
Novaković, S. B., Fraisse, B., Bogdanović, G. A.,& Spasojević-de Biré, A.. (2007). Experimental charge density evidence for the existence of high polarizability of the electron density of the free electron pairs on the sulfur atom of the thioureido group, NH-C(S)-NH2, induced by N-H center dot center dot center dot S and C-H center dot center dot center dot S interactions. in Crystal Growth and Design, 7(2), 191-195.
https://doi.org/10.1021/cg060497+
Novaković SB, Fraisse B, Bogdanović GA, Spasojević-de Biré A. Experimental charge density evidence for the existence of high polarizability of the electron density of the free electron pairs on the sulfur atom of the thioureido group, NH-C(S)-NH2, induced by N-H center dot center dot center dot S and C-H center dot center dot center dot S interactions. in Crystal Growth and Design. 2007;7(2):191-195.
doi:10.1021/cg060497+ .
Novaković, Slađana B., Fraisse, Bernard, Bogdanović, Goran A., Spasojević-de Biré, Anne, "Experimental charge density evidence for the existence of high polarizability of the electron density of the free electron pairs on the sulfur atom of the thioureido group, NH-C(S)-NH2, induced by N-H center dot center dot center dot S and C-H center dot center dot center dot S interactions" in Crystal Growth and Design, 7, no. 2 (2007):191-195,
https://doi.org/10.1021/cg060497+ . .
40
39
40

Crystal structure redetermination and atomic charges of ammonium decavanadate hexahydrate based on a low temperature x-ray experiment

Bošnjaković-Pavlović, Nada; Ghermani, Nour Eddine; Spasojević-de Biré, Anne; Bogdanović, Goran A.; Mioč, Ubavka B.

(Society of Physical Chemists of Serbia, 2004)

TY  - CONF
AU  - Bošnjaković-Pavlović, Nada
AU  - Ghermani, Nour Eddine
AU  - Spasojević-de Biré, Anne
AU  - Bogdanović, Goran A.
AU  - Mioč, Ubavka B.
PY  - 2004
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9575
AB  - The X-ray structure of ammonium decavanadate hexahydrate, (NH4)6V10O28·6H2O, was redetermined at low temperature (100 K) in order to locate the hydrogen sites. A kappa refinement was performed to estimate the experimental atomic charges. Comparisons with previous theoretical calculation results were discussed.
PB  - Society of Physical Chemists of Serbia
C3  - Physical chemistry 2004: 7th international conference on fundemental and applied aspract of physical chemistry
T1  - Crystal structure redetermination and atomic charges of ammonium decavanadate hexahydrate based on a low temperature x-ray experiment
VL  - 2
SP  - 544
EP  - 546
ER  - 
@conference{
author = "Bošnjaković-Pavlović, Nada and Ghermani, Nour Eddine and Spasojević-de Biré, Anne and Bogdanović, Goran A. and Mioč, Ubavka B.",
year = "2004",
abstract = "The X-ray structure of ammonium decavanadate hexahydrate, (NH4)6V10O28·6H2O, was redetermined at low temperature (100 K) in order to locate the hydrogen sites. A kappa refinement was performed to estimate the experimental atomic charges. Comparisons with previous theoretical calculation results were discussed.",
publisher = "Society of Physical Chemists of Serbia",
journal = "Physical chemistry 2004: 7th international conference on fundemental and applied aspract of physical chemistry",
title = "Crystal structure redetermination and atomic charges of ammonium decavanadate hexahydrate based on a low temperature x-ray experiment",
volume = "2",
pages = "544-546"
}
Bošnjaković-Pavlović, N., Ghermani, N. E., Spasojević-de Biré, A., Bogdanović, G. A.,& Mioč, U. B.. (2004). Crystal structure redetermination and atomic charges of ammonium decavanadate hexahydrate based on a low temperature x-ray experiment. in Physical chemistry 2004: 7th international conference on fundemental and applied aspract of physical chemistry
Society of Physical Chemists of Serbia., 2, 544-546.
Bošnjaković-Pavlović N, Ghermani NE, Spasojević-de Biré A, Bogdanović GA, Mioč UB. Crystal structure redetermination and atomic charges of ammonium decavanadate hexahydrate based on a low temperature x-ray experiment. in Physical chemistry 2004: 7th international conference on fundemental and applied aspract of physical chemistry. 2004;2:544-546..
Bošnjaković-Pavlović, Nada, Ghermani, Nour Eddine, Spasojević-de Biré, Anne, Bogdanović, Goran A., Mioč, Ubavka B., "Crystal structure redetermination and atomic charges of ammonium decavanadate hexahydrate based on a low temperature x-ray experiment" in Physical chemistry 2004: 7th international conference on fundemental and applied aspract of physical chemistry, 2 (2004):544-546.

Structure and proton conductivity in a magnesium salt of 12-tungstophosphoric acid

Mioč, Ubavka B.; Todorovic, MR; Uskoković-Marković, SM; Davidović, Milorad P.; Kremenović, Aleksandar S.; Spasojević-de Biré, Anne; Cajkovski, T; Likar-Smiljanic, V; Biljic, R

(2003)

TY  - JOUR
AU  - Mioč, Ubavka B.
AU  - Todorovic, MR
AU  - Uskoković-Marković, SM
AU  - Davidović, Milorad P.
AU  - Kremenović, Aleksandar S.
AU  - Spasojević-de Biré, Anne
AU  - Cajkovski, T
AU  - Likar-Smiljanic, V
AU  - Biljic, R
PY  - 2003
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6384
AB  - Some structural properties of a magnesium salt of 12-tungstophosphoric acid, MgHPW12O40.nH(2)O (MgHVvTA-n), are reported. The influence of the Mg2+ ion on the structure, dynamics of the protonic species, and dielectric and conductive characteristics of the salt have been studied. The interaction of protonic species with Keggin anion was discussed. Preliminary results of the crystal structure indicate that the structure is composed of Keggin anions and Mg(OH2)(6) aqua-complexes. Some comparisons are made with other alkaline-earth and alkaline salts of WPA. The results of thermal analysis (TGA and DTA), X-ray diffraction (XRD), scanning electron microscopy (SEM), infrared spectroscopy (IR), conductivity and permittivity measurements of MgHWPA-n are reported and discussed. (C) 2003 Elsevier B.V. All rights reserved.
T2  - Solid State Ionics
T1  - Structure and proton conductivity in a magnesium salt of 12-tungstophosphoric acid
VL  - 162
SP  - 217
EP  - 223
DO  - 10.1016/S0167-2738(03)00257-1
ER  - 
@article{
author = "Mioč, Ubavka B. and Todorovic, MR and Uskoković-Marković, SM and Davidović, Milorad P. and Kremenović, Aleksandar S. and Spasojević-de Biré, Anne and Cajkovski, T and Likar-Smiljanic, V and Biljic, R",
year = "2003",
abstract = "Some structural properties of a magnesium salt of 12-tungstophosphoric acid, MgHPW12O40.nH(2)O (MgHVvTA-n), are reported. The influence of the Mg2+ ion on the structure, dynamics of the protonic species, and dielectric and conductive characteristics of the salt have been studied. The interaction of protonic species with Keggin anion was discussed. Preliminary results of the crystal structure indicate that the structure is composed of Keggin anions and Mg(OH2)(6) aqua-complexes. Some comparisons are made with other alkaline-earth and alkaline salts of WPA. The results of thermal analysis (TGA and DTA), X-ray diffraction (XRD), scanning electron microscopy (SEM), infrared spectroscopy (IR), conductivity and permittivity measurements of MgHWPA-n are reported and discussed. (C) 2003 Elsevier B.V. All rights reserved.",
journal = "Solid State Ionics",
title = "Structure and proton conductivity in a magnesium salt of 12-tungstophosphoric acid",
volume = "162",
pages = "217-223",
doi = "10.1016/S0167-2738(03)00257-1"
}
Mioč, U. B., Todorovic, M., Uskoković-Marković, S., Davidović, M. P., Kremenović, A. S., Spasojević-de Biré, A., Cajkovski, T., Likar-Smiljanic, V.,& Biljic, R.. (2003). Structure and proton conductivity in a magnesium salt of 12-tungstophosphoric acid. in Solid State Ionics, 162, 217-223.
https://doi.org/10.1016/S0167-2738(03)00257-1
Mioč UB, Todorovic M, Uskoković-Marković S, Davidović MP, Kremenović AS, Spasojević-de Biré A, Cajkovski T, Likar-Smiljanic V, Biljic R. Structure and proton conductivity in a magnesium salt of 12-tungstophosphoric acid. in Solid State Ionics. 2003;162:217-223.
doi:10.1016/S0167-2738(03)00257-1 .
Mioč, Ubavka B., Todorovic, MR, Uskoković-Marković, SM, Davidović, Milorad P., Kremenović, Aleksandar S., Spasojević-de Biré, Anne, Cajkovski, T, Likar-Smiljanic, V, Biljic, R, "Structure and proton conductivity in a magnesium salt of 12-tungstophosphoric acid" in Solid State Ionics, 162 (2003):217-223,
https://doi.org/10.1016/S0167-2738(03)00257-1 . .
14
16
18

Reaction of copper(II) with 1-carboxamide-3,5-dimethylpyrazole, 1-carboxamidine-3,5-dimethylpyrazole, 4-acetyl-3-amino-5-methylpyrazole and 5-amino-4-carboxamide-1-phenylpyrazole

Szecsenyi, KM; Leovac, Vukadin M.; Češljević, Valerija I.; Kovacs, A; Pokol, G; Argay, G; Kalman, A; Bogdanović, Goran A.; Jacimovic, ZK; Spasojević-de Bire, Anne

(2003)

TY  - JOUR
AU  - Szecsenyi, KM
AU  - Leovac, Vukadin M.
AU  - Češljević, Valerija I.
AU  - Kovacs, A
AU  - Pokol, G
AU  - Argay, G
AU  - Kalman, A
AU  - Bogdanović, Goran A.
AU  - Jacimovic, ZK
AU  - Spasojević-de Bire, Anne
PY  - 2003
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2672
AB  - Complex formation of copper(II) bromide and acetate with 1-carboxamide-3,5-dimethylpyrazole (HL3) and copper(II) bromide with 5-amino-4-carboxamide-1-phenylpyrazole (L-2), 4-acetyl-3-amino-5-methylpyrazole (HL4) and 1-carboxamidine-3,5-dimethylpyrazole (HL5), was studied. The obtained compounds, CuBr2(L-2)(2), Cu(L-3)(2), CuBr2(HL4)(2), CuBr2(HL5)(2) and [CuBr(HL1)(L-3)](2) (HL1 denotes the 3,5-dimethylpyrazole), are characterized by elemental analysis, FT-IR spectrometry, molar conductivity, TG-MS and DSC. The X-ray structure of [CuBr(HL1)(L-3)](2) and Cu(L-3)(2) is discussed. For [CuBr(HL1)(L-3)](2) a dimeric penta-co-ordinated structure has been found; the co-ordination around the metal in Cu(L-3)(2) is trans-square planar. To CuBr2(L-2)(2) and CuBr2(HL4)(2) a nearly tetrahedral, while for CuBr2(HL5)(2) an octahedral geometry may be assumed. It means that the geometry of the compounds in the first place depends on the ligand substituents. The course of the complex formation reaction is anion-dependent and may be explained on the basis of Pearsons theory, taking into account the steric factors. A low stability intermediate formation was observed in the thermal decomposition of Cu(L-3)(2). (C) 2003 Elsevier B.V. All rights reserved.
T2  - Inorganica Chimica Acta
T1  - Reaction of copper(II) with 1-carboxamide-3,5-dimethylpyrazole, 1-carboxamidine-3,5-dimethylpyrazole, 4-acetyl-3-amino-5-methylpyrazole and 5-amino-4-carboxamide-1-phenylpyrazole
VL  - 353
SP  - 253
EP  - 262
DO  - 10.1016/S0020-1693(03)00231-7
ER  - 
@article{
author = "Szecsenyi, KM and Leovac, Vukadin M. and Češljević, Valerija I. and Kovacs, A and Pokol, G and Argay, G and Kalman, A and Bogdanović, Goran A. and Jacimovic, ZK and Spasojević-de Bire, Anne",
year = "2003",
abstract = "Complex formation of copper(II) bromide and acetate with 1-carboxamide-3,5-dimethylpyrazole (HL3) and copper(II) bromide with 5-amino-4-carboxamide-1-phenylpyrazole (L-2), 4-acetyl-3-amino-5-methylpyrazole (HL4) and 1-carboxamidine-3,5-dimethylpyrazole (HL5), was studied. The obtained compounds, CuBr2(L-2)(2), Cu(L-3)(2), CuBr2(HL4)(2), CuBr2(HL5)(2) and [CuBr(HL1)(L-3)](2) (HL1 denotes the 3,5-dimethylpyrazole), are characterized by elemental analysis, FT-IR spectrometry, molar conductivity, TG-MS and DSC. The X-ray structure of [CuBr(HL1)(L-3)](2) and Cu(L-3)(2) is discussed. For [CuBr(HL1)(L-3)](2) a dimeric penta-co-ordinated structure has been found; the co-ordination around the metal in Cu(L-3)(2) is trans-square planar. To CuBr2(L-2)(2) and CuBr2(HL4)(2) a nearly tetrahedral, while for CuBr2(HL5)(2) an octahedral geometry may be assumed. It means that the geometry of the compounds in the first place depends on the ligand substituents. The course of the complex formation reaction is anion-dependent and may be explained on the basis of Pearsons theory, taking into account the steric factors. A low stability intermediate formation was observed in the thermal decomposition of Cu(L-3)(2). (C) 2003 Elsevier B.V. All rights reserved.",
journal = "Inorganica Chimica Acta",
title = "Reaction of copper(II) with 1-carboxamide-3,5-dimethylpyrazole, 1-carboxamidine-3,5-dimethylpyrazole, 4-acetyl-3-amino-5-methylpyrazole and 5-amino-4-carboxamide-1-phenylpyrazole",
volume = "353",
pages = "253-262",
doi = "10.1016/S0020-1693(03)00231-7"
}
Szecsenyi, K., Leovac, V. M., Češljević, V. I., Kovacs, A., Pokol, G., Argay, G., Kalman, A., Bogdanović, G. A., Jacimovic, Z.,& Spasojević-de Bire, A.. (2003). Reaction of copper(II) with 1-carboxamide-3,5-dimethylpyrazole, 1-carboxamidine-3,5-dimethylpyrazole, 4-acetyl-3-amino-5-methylpyrazole and 5-amino-4-carboxamide-1-phenylpyrazole. in Inorganica Chimica Acta, 353, 253-262.
https://doi.org/10.1016/S0020-1693(03)00231-7
Szecsenyi K, Leovac VM, Češljević VI, Kovacs A, Pokol G, Argay G, Kalman A, Bogdanović GA, Jacimovic Z, Spasojević-de Bire A. Reaction of copper(II) with 1-carboxamide-3,5-dimethylpyrazole, 1-carboxamidine-3,5-dimethylpyrazole, 4-acetyl-3-amino-5-methylpyrazole and 5-amino-4-carboxamide-1-phenylpyrazole. in Inorganica Chimica Acta. 2003;353:253-262.
doi:10.1016/S0020-1693(03)00231-7 .
Szecsenyi, KM, Leovac, Vukadin M., Češljević, Valerija I., Kovacs, A, Pokol, G, Argay, G, Kalman, A, Bogdanović, Goran A., Jacimovic, ZK, Spasojević-de Bire, Anne, "Reaction of copper(II) with 1-carboxamide-3,5-dimethylpyrazole, 1-carboxamidine-3,5-dimethylpyrazole, 4-acetyl-3-amino-5-methylpyrazole and 5-amino-4-carboxamide-1-phenylpyrazole" in Inorganica Chimica Acta, 353 (2003):253-262,
https://doi.org/10.1016/S0020-1693(03)00231-7 . .
31
32
35

Cation ordering and order-disorder phase transition in Co-substituted Li4Ti5O12 spinels

Jović, Nataša G.; Antić, Bratislav; Kremenović, Aleksandar S.; Spasojević-de Bire, Anne; Spasojević, Vojislav

(2003)

TY  - JOUR
AU  - Jović, Nataša G.
AU  - Antić, Bratislav
AU  - Kremenović, Aleksandar S.
AU  - Spasojević-de Bire, Anne
AU  - Spasojević, Vojislav
PY  - 2003
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2655
AB  - In this paper we present the results of the synthesis, crystal structure investigations and in situ X-ray diffraction studies of the order-disorder phase transition in cobalt substituted lithium titanate oxide spinels, Li1.33xCo2-2x,Ti1+0.67x (0 less than or equal to x less than or equal to 1). Depending on the chemical composition the samples crystallize in two space groups (S.G.): Fd (3) over barm (0 less than or equal to x less than or equal to 0.40 and x = 1) and P4(3)32 (0.50 less than or equal to x less than or equal to 0.875). Samples crystallizing in the S.G. P4(3)2 are ordered spinels with a cation ordering of the 1 : 3 type at octahedral 4b and 12d sites. The cation ordering in octahedral sites is full in the sample with x = 0.75 (Li and Ti occupy 4b and 12d sites, respectively) and decreases for samples with higher/smaller x. Changes of the extinction conditions and nonlinearities in the concentration dependence of the lattice parameter in the regions 0.40 less than or equal to x less than or equal to 0.50 and 0.875 LT x LT 1 indicate changes of the crystal symmetry (Fd (3) over barm LT ---- GT P4(3)32). The partially ordered spinel x 0.50 has a convergent, reversible, order-disorder phase transition at Tc = (1083 10) K. Samples with x 0.875 and 0.75 have an order-disorder phase transition out of our experimental ranges with T-C(x = 0.875) LT 973 K and T-C(x = 0.75) GT 1173 K. The mechanism of the phase transition is based on cation migration.
T2  - Physica Status Solidi. A: Applied Research
T1  - Cation ordering and order-disorder phase transition in Co-substituted Li4Ti5O12 spinels
VL  - 198
IS  - 1
SP  - 18
EP  - 28
DO  - 10.1002/pssa.200306451
ER  - 
@article{
author = "Jović, Nataša G. and Antić, Bratislav and Kremenović, Aleksandar S. and Spasojević-de Bire, Anne and Spasojević, Vojislav",
year = "2003",
abstract = "In this paper we present the results of the synthesis, crystal structure investigations and in situ X-ray diffraction studies of the order-disorder phase transition in cobalt substituted lithium titanate oxide spinels, Li1.33xCo2-2x,Ti1+0.67x (0 less than or equal to x less than or equal to 1). Depending on the chemical composition the samples crystallize in two space groups (S.G.): Fd (3) over barm (0 less than or equal to x less than or equal to 0.40 and x = 1) and P4(3)32 (0.50 less than or equal to x less than or equal to 0.875). Samples crystallizing in the S.G. P4(3)2 are ordered spinels with a cation ordering of the 1 : 3 type at octahedral 4b and 12d sites. The cation ordering in octahedral sites is full in the sample with x = 0.75 (Li and Ti occupy 4b and 12d sites, respectively) and decreases for samples with higher/smaller x. Changes of the extinction conditions and nonlinearities in the concentration dependence of the lattice parameter in the regions 0.40 less than or equal to x less than or equal to 0.50 and 0.875 LT x LT 1 indicate changes of the crystal symmetry (Fd (3) over barm LT ---- GT P4(3)32). The partially ordered spinel x 0.50 has a convergent, reversible, order-disorder phase transition at Tc = (1083 10) K. Samples with x 0.875 and 0.75 have an order-disorder phase transition out of our experimental ranges with T-C(x = 0.875) LT 973 K and T-C(x = 0.75) GT 1173 K. The mechanism of the phase transition is based on cation migration.",
journal = "Physica Status Solidi. A: Applied Research",
title = "Cation ordering and order-disorder phase transition in Co-substituted Li4Ti5O12 spinels",
volume = "198",
number = "1",
pages = "18-28",
doi = "10.1002/pssa.200306451"
}
Jović, N. G., Antić, B., Kremenović, A. S., Spasojević-de Bire, A.,& Spasojević, V.. (2003). Cation ordering and order-disorder phase transition in Co-substituted Li4Ti5O12 spinels. in Physica Status Solidi. A: Applied Research, 198(1), 18-28.
https://doi.org/10.1002/pssa.200306451
Jović NG, Antić B, Kremenović AS, Spasojević-de Bire A, Spasojević V. Cation ordering and order-disorder phase transition in Co-substituted Li4Ti5O12 spinels. in Physica Status Solidi. A: Applied Research. 2003;198(1):18-28.
doi:10.1002/pssa.200306451 .
Jović, Nataša G., Antić, Bratislav, Kremenović, Aleksandar S., Spasojević-de Bire, Anne, Spasojević, Vojislav, "Cation ordering and order-disorder phase transition in Co-substituted Li4Ti5O12 spinels" in Physica Status Solidi. A: Applied Research, 198, no. 1 (2003):18-28,
https://doi.org/10.1002/pssa.200306451 . .
20
19
21

Transition metal complexes with thiosemicarbazide-based ligands. XLII. Bis(S-methylisothiosemicarbazido-N-1,N-4)bis(pyrazole-N-2)nickel(II) diiodide

Bogdanović, Goran A.; Leovac, Vukadin M.; Novaković, Slađana B.; Češljević, Valerija I.; Spasojević-de Bire, Anne

(2001)

TY  - JOUR
AU  - Bogdanović, Goran A.
AU  - Leovac, Vukadin M.
AU  - Novaković, Slađana B.
AU  - Češljević, Valerija I.
AU  - Spasojević-de Bire, Anne
PY  - 2001
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2467
T2  - Acta Crystallographica. Section C: Crystal Structure Communications
T1  - Transition metal complexes with thiosemicarbazide-based ligands. XLII. Bis(S-methylisothiosemicarbazido-N-1,N-4)bis(pyrazole-N-2)nickel(II) diiodide
VL  - 57
SP  - 1138
EP  - 1140
DO  - 10.1107/S010827010100991X
ER  - 
@article{
author = "Bogdanović, Goran A. and Leovac, Vukadin M. and Novaković, Slađana B. and Češljević, Valerija I. and Spasojević-de Bire, Anne",
year = "2001",
journal = "Acta Crystallographica. Section C: Crystal Structure Communications",
title = "Transition metal complexes with thiosemicarbazide-based ligands. XLII. Bis(S-methylisothiosemicarbazido-N-1,N-4)bis(pyrazole-N-2)nickel(II) diiodide",
volume = "57",
pages = "1138-1140",
doi = "10.1107/S010827010100991X"
}
Bogdanović, G. A., Leovac, V. M., Novaković, S. B., Češljević, V. I.,& Spasojević-de Bire, A.. (2001). Transition metal complexes with thiosemicarbazide-based ligands. XLII. Bis(S-methylisothiosemicarbazido-N-1,N-4)bis(pyrazole-N-2)nickel(II) diiodide. in Acta Crystallographica. Section C: Crystal Structure Communications, 57, 1138-1140.
https://doi.org/10.1107/S010827010100991X
Bogdanović GA, Leovac VM, Novaković SB, Češljević VI, Spasojević-de Bire A. Transition metal complexes with thiosemicarbazide-based ligands. XLII. Bis(S-methylisothiosemicarbazido-N-1,N-4)bis(pyrazole-N-2)nickel(II) diiodide. in Acta Crystallographica. Section C: Crystal Structure Communications. 2001;57:1138-1140.
doi:10.1107/S010827010100991X .
Bogdanović, Goran A., Leovac, Vukadin M., Novaković, Slađana B., Češljević, Valerija I., Spasojević-de Bire, Anne, "Transition metal complexes with thiosemicarbazide-based ligands. XLII. Bis(S-methylisothiosemicarbazido-N-1,N-4)bis(pyrazole-N-2)nickel(II) diiodide" in Acta Crystallographica. Section C: Crystal Structure Communications, 57 (2001):1138-1140,
https://doi.org/10.1107/S010827010100991X . .
4
7
7

Synthesis and X-ray crystal analysis of [Cu-2(HCOO)tpmc]-[Cu-2(CH3COO)tpmc](ClO4)(6)center dot 6H(2)O (tpmc = N,N ,N ,N -tetrakis-(2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane). Preparation and characterization of [Cu-2(HCOO)tpmc](ClO4)(3)center dot H2O

Bogdanović, Goran A.; Miodragovic, ZM; Vučković, Gordana; Markovic, R; Spasojević-de Bire, Anne

(2001)

TY  - JOUR
AU  - Bogdanović, Goran A.
AU  - Miodragovic, ZM
AU  - Vučković, Gordana
AU  - Markovic, R
AU  - Spasojević-de Bire, Anne
PY  - 2001
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2462
AB  - The new structure of [Cu-2(HCOO)tpmc][Cu-2(CH3COO)tpmc](ClO4)(6)-6H(2)O (tpmc=N,N , ,N -tetrakis(2-pyridylmethyl)-1,4,8,11- tetraazacyclotetra-decane), consists of [Cu-2(HCOO)tpmc](3+) and [Cu-2(CH3COO)tpmc](3+) cations, perchlorate anions and water of crystallization. Two different binuclear transition metal complexes with the tpmc ligand form the same crystal lattice giving the monocrystals. The crystal structure of this compound has been solved by single crystal X-ray diffraction studies. It crystallizes in the triclinic system, space group P (1) over bar with a = 14.176(3) Angstrom, b = 16.864(4) Angstrom, c = 20.681(3) Angstrom, alpha = 100.68(3)degrees, beta = 101.00(3)degrees, gamma = 101.37-(3)degrees, V = 4628.6(16) Angstrom (3), R = 0.0729. Each copper atom is penta-coordinated in a distorted square-pyramidal arrangement. In addition, [Cu-2)(HCOO)tpmc](ClO4)(3).H2O was prepared and its properties were compared with the previously described mu -acetato analogue.
T2  - Synthesis and Reactivity in Inorganic and Metal-organic Chemistry
T1  - Synthesis and X-ray crystal analysis of [Cu-2(HCOO)tpmc]-[Cu-2(CH3COO)tpmc](ClO4)(6)center dot 6H(2)O (tpmc = N,N ,N ,N -tetrakis-(2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane). Preparation and characterization of [Cu-2(HCOO)tpmc](ClO4)(3)center dot H2O
VL  - 31
IS  - 7
SP  - 1189
EP  - 1203
DO  - 10.1081/SIM-100106857
ER  - 
@article{
author = "Bogdanović, Goran A. and Miodragovic, ZM and Vučković, Gordana and Markovic, R and Spasojević-de Bire, Anne",
year = "2001",
abstract = "The new structure of [Cu-2(HCOO)tpmc][Cu-2(CH3COO)tpmc](ClO4)(6)-6H(2)O (tpmc=N,N , ,N -tetrakis(2-pyridylmethyl)-1,4,8,11- tetraazacyclotetra-decane), consists of [Cu-2(HCOO)tpmc](3+) and [Cu-2(CH3COO)tpmc](3+) cations, perchlorate anions and water of crystallization. Two different binuclear transition metal complexes with the tpmc ligand form the same crystal lattice giving the monocrystals. The crystal structure of this compound has been solved by single crystal X-ray diffraction studies. It crystallizes in the triclinic system, space group P (1) over bar with a = 14.176(3) Angstrom, b = 16.864(4) Angstrom, c = 20.681(3) Angstrom, alpha = 100.68(3)degrees, beta = 101.00(3)degrees, gamma = 101.37-(3)degrees, V = 4628.6(16) Angstrom (3), R = 0.0729. Each copper atom is penta-coordinated in a distorted square-pyramidal arrangement. In addition, [Cu-2)(HCOO)tpmc](ClO4)(3).H2O was prepared and its properties were compared with the previously described mu -acetato analogue.",
journal = "Synthesis and Reactivity in Inorganic and Metal-organic Chemistry",
title = "Synthesis and X-ray crystal analysis of [Cu-2(HCOO)tpmc]-[Cu-2(CH3COO)tpmc](ClO4)(6)center dot 6H(2)O (tpmc = N,N ,N ,N -tetrakis-(2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane). Preparation and characterization of [Cu-2(HCOO)tpmc](ClO4)(3)center dot H2O",
volume = "31",
number = "7",
pages = "1189-1203",
doi = "10.1081/SIM-100106857"
}
Bogdanović, G. A., Miodragovic, Z., Vučković, G., Markovic, R.,& Spasojević-de Bire, A.. (2001). Synthesis and X-ray crystal analysis of [Cu-2(HCOO)tpmc]-[Cu-2(CH3COO)tpmc](ClO4)(6)center dot 6H(2)O (tpmc = N,N ,N ,N -tetrakis-(2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane). Preparation and characterization of [Cu-2(HCOO)tpmc](ClO4)(3)center dot H2O. in Synthesis and Reactivity in Inorganic and Metal-organic Chemistry, 31(7), 1189-1203.
https://doi.org/10.1081/SIM-100106857
Bogdanović GA, Miodragovic Z, Vučković G, Markovic R, Spasojević-de Bire A. Synthesis and X-ray crystal analysis of [Cu-2(HCOO)tpmc]-[Cu-2(CH3COO)tpmc](ClO4)(6)center dot 6H(2)O (tpmc = N,N ,N ,N -tetrakis-(2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane). Preparation and characterization of [Cu-2(HCOO)tpmc](ClO4)(3)center dot H2O. in Synthesis and Reactivity in Inorganic and Metal-organic Chemistry. 2001;31(7):1189-1203.
doi:10.1081/SIM-100106857 .
Bogdanović, Goran A., Miodragovic, ZM, Vučković, Gordana, Markovic, R, Spasojević-de Bire, Anne, "Synthesis and X-ray crystal analysis of [Cu-2(HCOO)tpmc]-[Cu-2(CH3COO)tpmc](ClO4)(6)center dot 6H(2)O (tpmc = N,N ,N ,N -tetrakis-(2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane). Preparation and characterization of [Cu-2(HCOO)tpmc](ClO4)(3)center dot H2O" in Synthesis and Reactivity in Inorganic and Metal-organic Chemistry, 31, no. 7 (2001):1189-1203,
https://doi.org/10.1081/SIM-100106857 . .
10
11
11

Mixed ligand Co(II), Ni(II) and Cu(II) complexes containing terephthalato ligands. Crystal structures of diaqua(2,2 -dipyridylamine)(terephthalato)metal(II) trihydrates (metal = cobalt or nickel)

Rogan, Jelena R.; Poleti, D; Karanovic, L; Bogdanović, Goran A.; Spasojević-de Bire, Anne; Petrović, Dragoslav M.

(2000)

TY  - JOUR
AU  - Rogan, Jelena R.
AU  - Poleti, D
AU  - Karanovic, L
AU  - Bogdanović, Goran A.
AU  - Spasojević-de Bire, Anne
AU  - Petrović, Dragoslav M.
PY  - 2000
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2368
AB  - A series of nine ternary Co(II), Ni(II) and Cu(II) complexes with some aromatic diamines and dianion of terephthalic acid (tpht) have been synthesized and characterized by elemental analysis, magnetic susceptibility measurements, IR and diffuse-reflectance spectroscopy. All compounds were obtained as microcrystalline solids, stable in air and insoluble in common solvents. Two of them, [M(tpht)(dipya)(H2O)(2)]. 3H(2)O [M = Co(II), Ni(II); dipya = 2,2-dipyridylamine], were obtained as single crystals and their crystal structures have been determined by X-ray structure analysis. Both structures consist of discrete [M(tpht)(dipya)(H2O)(2)](2+) complex units with two H2O molecules in the trans position. Three additional H2O molecules together with coordinated H2O and O atoms from COO groups make a three-dimensional network of hydrogen bonds. Terephthalato ligands are coordinated by only one COO group, which acts as a chelating ligand. Central metal ions are in a distorted octahedral environment. Based on the above-mentioned analysis and known crystal structures, the possible structures and geometry of the complexes are discussed. All Co(II) and Ni(II) complexes are pseudooctahedral and mononuclear, with only one of the tpht COO groups coordinated in a chelate mode. Cu(II) complexes have probably distorted octahedral geometry with bridging role of tpht ions and monodentate or strongly asymmetric coordination of COO groups. (C) 2000 Elsevier Science Ltd. All rights reserved.
T2  - Polyhedron
T1  - Mixed ligand Co(II), Ni(II) and Cu(II) complexes containing terephthalato ligands. Crystal structures of diaqua(2,2 -dipyridylamine)(terephthalato)metal(II) trihydrates (metal = cobalt or nickel)
VL  - 19
IS  - 11
SP  - 1415
EP  - 1421
DO  - 10.1016/S0277-5387(00)00435-6
ER  - 
@article{
author = "Rogan, Jelena R. and Poleti, D and Karanovic, L and Bogdanović, Goran A. and Spasojević-de Bire, Anne and Petrović, Dragoslav M.",
year = "2000",
abstract = "A series of nine ternary Co(II), Ni(II) and Cu(II) complexes with some aromatic diamines and dianion of terephthalic acid (tpht) have been synthesized and characterized by elemental analysis, magnetic susceptibility measurements, IR and diffuse-reflectance spectroscopy. All compounds were obtained as microcrystalline solids, stable in air and insoluble in common solvents. Two of them, [M(tpht)(dipya)(H2O)(2)]. 3H(2)O [M = Co(II), Ni(II); dipya = 2,2-dipyridylamine], were obtained as single crystals and their crystal structures have been determined by X-ray structure analysis. Both structures consist of discrete [M(tpht)(dipya)(H2O)(2)](2+) complex units with two H2O molecules in the trans position. Three additional H2O molecules together with coordinated H2O and O atoms from COO groups make a three-dimensional network of hydrogen bonds. Terephthalato ligands are coordinated by only one COO group, which acts as a chelating ligand. Central metal ions are in a distorted octahedral environment. Based on the above-mentioned analysis and known crystal structures, the possible structures and geometry of the complexes are discussed. All Co(II) and Ni(II) complexes are pseudooctahedral and mononuclear, with only one of the tpht COO groups coordinated in a chelate mode. Cu(II) complexes have probably distorted octahedral geometry with bridging role of tpht ions and monodentate or strongly asymmetric coordination of COO groups. (C) 2000 Elsevier Science Ltd. All rights reserved.",
journal = "Polyhedron",
title = "Mixed ligand Co(II), Ni(II) and Cu(II) complexes containing terephthalato ligands. Crystal structures of diaqua(2,2 -dipyridylamine)(terephthalato)metal(II) trihydrates (metal = cobalt or nickel)",
volume = "19",
number = "11",
pages = "1415-1421",
doi = "10.1016/S0277-5387(00)00435-6"
}
Rogan, J. R., Poleti, D., Karanovic, L., Bogdanović, G. A., Spasojević-de Bire, A.,& Petrović, D. M.. (2000). Mixed ligand Co(II), Ni(II) and Cu(II) complexes containing terephthalato ligands. Crystal structures of diaqua(2,2 -dipyridylamine)(terephthalato)metal(II) trihydrates (metal = cobalt or nickel). in Polyhedron, 19(11), 1415-1421.
https://doi.org/10.1016/S0277-5387(00)00435-6
Rogan JR, Poleti D, Karanovic L, Bogdanović GA, Spasojević-de Bire A, Petrović DM. Mixed ligand Co(II), Ni(II) and Cu(II) complexes containing terephthalato ligands. Crystal structures of diaqua(2,2 -dipyridylamine)(terephthalato)metal(II) trihydrates (metal = cobalt or nickel). in Polyhedron. 2000;19(11):1415-1421.
doi:10.1016/S0277-5387(00)00435-6 .
Rogan, Jelena R., Poleti, D, Karanovic, L, Bogdanović, Goran A., Spasojević-de Bire, Anne, Petrović, Dragoslav M., "Mixed ligand Co(II), Ni(II) and Cu(II) complexes containing terephthalato ligands. Crystal structures of diaqua(2,2 -dipyridylamine)(terephthalato)metal(II) trihydrates (metal = cobalt or nickel)" in Polyhedron, 19, no. 11 (2000):1415-1421,
https://doi.org/10.1016/S0277-5387(00)00435-6 . .
39
48
50

Transition metal complexes with thiosemicarbazide-based ligands. XXXIX. [Benzoylacetone 3-methylisothiosemicarbazonato(2)-O,N-1,N-4](pyridine-N)nickel(II)

Bogdanović, Goran A.; Spasojević-de Bire, Anne; Leovac, Vukadin M.; Češljević, Valerija I.

(1999)

TY  - JOUR
AU  - Bogdanović, Goran A.
AU  - Spasojević-de Bire, Anne
AU  - Leovac, Vukadin M.
AU  - Češljević, Valerija I.
PY  - 1999
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2289
AB  - The square-planar title complex of formula [Ni(C12H13N3OS)(C6H5N)] or [Ni(L)(py)] (L is the dianion of the O,N,N-terdentate benzoylacetone S-methylisothio-semicarbazone ligand and py is pyridine) has structural characteristics of the ligand L somewhat different from those reported previously for the square-planar [Ni(HL)(NH3)]I complex, which involves the same ligand in its monoanionic form. The differences are in the different electronic delocalization in the isothiosemicarbazide moiety, and the trans orientation of the S-Me group and the imido N atom. The effect of H-atom repulsion on the orientation of the phenyl ring with respect to the coordination plane of the complex and the effect of the pyridine ring on the crystal packing are also described.
T2  - Acta Crystallographica. Section C: Crystal Structure Communications
T1  - Transition metal complexes with thiosemicarbazide-based ligands. XXXIX. [Benzoylacetone 3-methylisothiosemicarbazonato(2)-O,N-1,N-4](pyridine-N)nickel(II)
VL  - 55
SP  - 1656
EP  - 1658
DO  - 10.1107/S0108270199004746
ER  - 
@article{
author = "Bogdanović, Goran A. and Spasojević-de Bire, Anne and Leovac, Vukadin M. and Češljević, Valerija I.",
year = "1999",
abstract = "The square-planar title complex of formula [Ni(C12H13N3OS)(C6H5N)] or [Ni(L)(py)] (L is the dianion of the O,N,N-terdentate benzoylacetone S-methylisothio-semicarbazone ligand and py is pyridine) has structural characteristics of the ligand L somewhat different from those reported previously for the square-planar [Ni(HL)(NH3)]I complex, which involves the same ligand in its monoanionic form. The differences are in the different electronic delocalization in the isothiosemicarbazide moiety, and the trans orientation of the S-Me group and the imido N atom. The effect of H-atom repulsion on the orientation of the phenyl ring with respect to the coordination plane of the complex and the effect of the pyridine ring on the crystal packing are also described.",
journal = "Acta Crystallographica. Section C: Crystal Structure Communications",
title = "Transition metal complexes with thiosemicarbazide-based ligands. XXXIX. [Benzoylacetone 3-methylisothiosemicarbazonato(2)-O,N-1,N-4](pyridine-N)nickel(II)",
volume = "55",
pages = "1656-1658",
doi = "10.1107/S0108270199004746"
}
Bogdanović, G. A., Spasojević-de Bire, A., Leovac, V. M.,& Češljević, V. I.. (1999). Transition metal complexes with thiosemicarbazide-based ligands. XXXIX. [Benzoylacetone 3-methylisothiosemicarbazonato(2)-O,N-1,N-4](pyridine-N)nickel(II). in Acta Crystallographica. Section C: Crystal Structure Communications, 55, 1656-1658.
https://doi.org/10.1107/S0108270199004746
Bogdanović GA, Spasojević-de Bire A, Leovac VM, Češljević VI. Transition metal complexes with thiosemicarbazide-based ligands. XXXIX. [Benzoylacetone 3-methylisothiosemicarbazonato(2)-O,N-1,N-4](pyridine-N)nickel(II). in Acta Crystallographica. Section C: Crystal Structure Communications. 1999;55:1656-1658.
doi:10.1107/S0108270199004746 .
Bogdanović, Goran A., Spasojević-de Bire, Anne, Leovac, Vukadin M., Češljević, Valerija I., "Transition metal complexes with thiosemicarbazide-based ligands. XXXIX. [Benzoylacetone 3-methylisothiosemicarbazonato(2)-O,N-1,N-4](pyridine-N)nickel(II)" in Acta Crystallographica. Section C: Crystal Structure Communications, 55 (1999):1656-1658,
https://doi.org/10.1107/S0108270199004746 . .
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Transition metal complexes with thiosemicarbazide-based ligands. 33. [4-(2-diphenylphosphino-alpha-ethoxybenzyl-P)-3-methyl-1-salicylidene-isothiosemicarbazido-N-1,N-4,O]nickel(II)

Bogdanović, Goran A.; Spasojević-de Bire, Anne; Prelesnik, Bogdan V.; Leovac, Vukadin M.

(1998)

TY  - JOUR
AU  - Bogdanović, Goran A.
AU  - Spasojević-de Bire, Anne
AU  - Prelesnik, Bogdan V.
AU  - Leovac, Vukadin M.
PY  - 1998
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2156
AB  - The title compound, [Ni(C30H28N3O2PS)], is the first example of a transition metal complex involving a thiosemicarbazide-based tetradentate ligand with a P atom in its coordination sphere. The Ni atom in the complex has a distorted square-planar configuration formed by N2OP donor atoms, It can be concluded from the structure that the formation of the complex involved addition across the azomethine group, which is the first time this has been observed for this class of ligands.
T2  - Acta Crystallographica. Section C: Crystal Structure Communications
T1  - Transition metal complexes with thiosemicarbazide-based ligands. 33. [4-(2-diphenylphosphino-alpha-ethoxybenzyl-P)-3-methyl-1-salicylidene-isothiosemicarbazido-N-1,N-4,O]nickel(II)
VL  - 54
SP  - 766
EP  - 768
DO  - 10.1107/S0108270197019677
ER  - 
@article{
author = "Bogdanović, Goran A. and Spasojević-de Bire, Anne and Prelesnik, Bogdan V. and Leovac, Vukadin M.",
year = "1998",
abstract = "The title compound, [Ni(C30H28N3O2PS)], is the first example of a transition metal complex involving a thiosemicarbazide-based tetradentate ligand with a P atom in its coordination sphere. The Ni atom in the complex has a distorted square-planar configuration formed by N2OP donor atoms, It can be concluded from the structure that the formation of the complex involved addition across the azomethine group, which is the first time this has been observed for this class of ligands.",
journal = "Acta Crystallographica. Section C: Crystal Structure Communications",
title = "Transition metal complexes with thiosemicarbazide-based ligands. 33. [4-(2-diphenylphosphino-alpha-ethoxybenzyl-P)-3-methyl-1-salicylidene-isothiosemicarbazido-N-1,N-4,O]nickel(II)",
volume = "54",
pages = "766-768",
doi = "10.1107/S0108270197019677"
}
Bogdanović, G. A., Spasojević-de Bire, A., Prelesnik, B. V.,& Leovac, V. M.. (1998). Transition metal complexes with thiosemicarbazide-based ligands. 33. [4-(2-diphenylphosphino-alpha-ethoxybenzyl-P)-3-methyl-1-salicylidene-isothiosemicarbazido-N-1,N-4,O]nickel(II). in Acta Crystallographica. Section C: Crystal Structure Communications, 54, 766-768.
https://doi.org/10.1107/S0108270197019677
Bogdanović GA, Spasojević-de Bire A, Prelesnik BV, Leovac VM. Transition metal complexes with thiosemicarbazide-based ligands. 33. [4-(2-diphenylphosphino-alpha-ethoxybenzyl-P)-3-methyl-1-salicylidene-isothiosemicarbazido-N-1,N-4,O]nickel(II). in Acta Crystallographica. Section C: Crystal Structure Communications. 1998;54:766-768.
doi:10.1107/S0108270197019677 .
Bogdanović, Goran A., Spasojević-de Bire, Anne, Prelesnik, Bogdan V., Leovac, Vukadin M., "Transition metal complexes with thiosemicarbazide-based ligands. 33. [4-(2-diphenylphosphino-alpha-ethoxybenzyl-P)-3-methyl-1-salicylidene-isothiosemicarbazido-N-1,N-4,O]nickel(II)" in Acta Crystallographica. Section C: Crystal Structure Communications, 54 (1998):766-768,
https://doi.org/10.1107/S0108270197019677 . .
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