TY  - DATA
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Janjić, Goran V.
AU  - Ninković, Dragan
AU  - Kapor, Agnes
AU  - Zarić, Snežana D.
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3555
PB  - Royal Soc Chemistry, Cambridge
T2  - CrystEngComm
T1  - Supplementary data for article: Vojislavljević-Vasilev, D.; Janjić, G. V.; Ninković, D.; Kapor, A.; Zarić, S. The Influence of Water Molecule Coordination onto the Water-Aromatic Interaction. Strong Interactions of Water Coordinating to a Metal Ion. CrystEngComm 2013, 15 (11), 2099–2105. https://doi.org/10.1039/c2ce25621e
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3555
ER  - 

@misc{
author = "Vojislavljević-Vasilev, Dubravka and Janjić, Goran V. and Ninković, Dragan and Kapor, Agnes and Zarić, Snežana D.",
year = "2013",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "CrystEngComm",
title = "Supplementary data for article: Vojislavljević-Vasilev, D.; Janjić, G. V.; Ninković, D.; Kapor, A.; Zarić, S. The Influence of Water Molecule Coordination onto the Water-Aromatic Interaction. Strong Interactions of Water Coordinating to a Metal Ion. CrystEngComm 2013, 15 (11), 2099–2105. https://doi.org/10.1039/c2ce25621e",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3555"
}

Vojislavljević-Vasilev, D., Janjić, G. V., Ninković, D., Kapor, A.,& Zarić, S. D.. (2013). Supplementary data for article: Vojislavljević-Vasilev, D.; Janjić, G. V.; Ninković, D.; Kapor, A.; Zarić, S. The Influence of Water Molecule Coordination onto the Water-Aromatic Interaction. Strong Interactions of Water Coordinating to a Metal Ion. CrystEngComm 2013, 15 (11), 2099–2105. https://doi.org/10.1039/c2ce25621e. in CrystEngComm
Royal Soc Chemistry, Cambridge..
https://hdl.handle.net/21.15107/rcub_cherry_3555

Vojislavljević-Vasilev D, Janjić GV, Ninković D, Kapor A, Zarić SD. Supplementary data for article: Vojislavljević-Vasilev, D.; Janjić, G. V.; Ninković, D.; Kapor, A.; Zarić, S. The Influence of Water Molecule Coordination onto the Water-Aromatic Interaction. Strong Interactions of Water Coordinating to a Metal Ion. CrystEngComm 2013, 15 (11), 2099–2105. https://doi.org/10.1039/c2ce25621e. in CrystEngComm. 2013;.
https://hdl.handle.net/21.15107/rcub_cherry_3555 .

Vojislavljević-Vasilev, Dubravka, Janjić, Goran V., Ninković, Dragan, Kapor, Agnes, Zarić, Snežana D., "Supplementary data for article: Vojislavljević-Vasilev, D.; Janjić, G. V.; Ninković, D.; Kapor, A.; Zarić, S. The Influence of Water Molecule Coordination onto the Water-Aromatic Interaction. Strong Interactions of Water Coordinating to a Metal Ion. CrystEngComm 2013, 15 (11), 2099–2105. https://doi.org/10.1039/c2ce25621e" in CrystEngComm (2013),
https://hdl.handle.net/21.15107/rcub_cherry_3555 .

TY  - JOUR
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Janjić, Goran V.
AU  - Ninković, Dragan
AU  - Kapor, Agnes
AU  - Zarić, Snežana D.
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1602
AB  - The interactions between water molecules (non-coordinating and coordinating) and aromatic rings were studied by analyzing data in the Cambridge Structural Database and by quantum chemical calculations. The results show the influence of water coordination to a metal ion; interactions of coordinating water are stronger. The MP2/def2-QZVP interaction energies of non-coordinating water and neutral aqua complexes [ScCl3(H2O)(3)], [ZnCl2(H2O)(4)], [CdCl2(H2O)(4)], and [ZnCl2(H2O)(2)] with benzene molecule are -3.36, -5.10, -5.43, -6.86, and -5.14 kcal mol(-1), respectively. Interactions of charged aqua complexes [ZnCl(H2O)(5)](+) and [Zn(H2O)(6)](2+) are stronger, -9.69 and -13.96 kcal mol(-1), respectively. The calculations also reveal strong long-range interactions: at the distance of 3.0 angstrom the interaction energies of neutral complexes are in the range of -4.11 to -4.91 kcal mol(-1), while interaction energies of charged complexes are -6.37 and -10.76 kcal mol(-1).
PB  - Royal Soc Chemistry, Cambridge
T2  - CrystEngComm
T1  - The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion
VL  - 15
IS  - 11
SP  - 2099
EP  - 2105
DO  - 10.1039/c2ce25621e
ER  - 

@article{
author = "Vojislavljević-Vasilev, Dubravka and Janjić, Goran V. and Ninković, Dragan and Kapor, Agnes and Zarić, Snežana D.",
year = "2013",
abstract = "The interactions between water molecules (non-coordinating and coordinating) and aromatic rings were studied by analyzing data in the Cambridge Structural Database and by quantum chemical calculations. The results show the influence of water coordination to a metal ion; interactions of coordinating water are stronger. The MP2/def2-QZVP interaction energies of non-coordinating water and neutral aqua complexes [ScCl3(H2O)(3)], [ZnCl2(H2O)(4)], [CdCl2(H2O)(4)], and [ZnCl2(H2O)(2)] with benzene molecule are -3.36, -5.10, -5.43, -6.86, and -5.14 kcal mol(-1), respectively. Interactions of charged aqua complexes [ZnCl(H2O)(5)](+) and [Zn(H2O)(6)](2+) are stronger, -9.69 and -13.96 kcal mol(-1), respectively. The calculations also reveal strong long-range interactions: at the distance of 3.0 angstrom the interaction energies of neutral complexes are in the range of -4.11 to -4.91 kcal mol(-1), while interaction energies of charged complexes are -6.37 and -10.76 kcal mol(-1).",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "CrystEngComm",
title = "The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion",
volume = "15",
number = "11",
pages = "2099-2105",
doi = "10.1039/c2ce25621e"
}

Vojislavljević-Vasilev, D., Janjić, G. V., Ninković, D., Kapor, A.,& Zarić, S. D.. (2013). The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion. in CrystEngComm
Royal Soc Chemistry, Cambridge., 15(11), 2099-2105.
https://doi.org/10.1039/c2ce25621e

Vojislavljević-Vasilev D, Janjić GV, Ninković D, Kapor A, Zarić SD. The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion. in CrystEngComm. 2013;15(11):2099-2105.
doi:10.1039/c2ce25621e .

Vojislavljević-Vasilev, Dubravka, Janjić, Goran V., Ninković, Dragan, Kapor, Agnes, Zarić, Snežana D., "The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion" in CrystEngComm, 15, no. 11 (2013):2099-2105,
https://doi.org/10.1039/c2ce25621e . .

TY  - JOUR
AU  - Janjić, Goran V.
AU  - Andrić, Jelena M.
AU  - Kapor, Agnes
AU  - Bugarcic, Zivadin D.
AU  - Zarić, Snežana D.
PY  - 2010
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1128
AB  - Stacking interactions of terpyridyl square-planar complexes in crystal structures were studied analyzing data from the Cambridge Structural Database. In most of the crystal structures, two terpyridyl complexes were oriented "head-to-tail" or "head-to-head", with "head-to-tail orientation" being most prevalent. The number of structures with other orientations was very small. Based on the analysis of interacting geometries, we classified overlaps of terpyridyl complexes into six types. The types were defined by values of several geometrical parameters and all interactions of the same type had very similar overlap patterns.
PB  - Royal Soc Chemistry, Cambridge
T2  - CrystEngComm
T1  - Classification of stacking interaction geometries of terpyridyl square-planar complexes in crystal structures
VL  - 12
IS  - 11
SP  - 3773
EP  - 3779
DO  - 10.1039/b917268h
ER  - 

@article{
author = "Janjić, Goran V. and Andrić, Jelena M. and Kapor, Agnes and Bugarcic, Zivadin D. and Zarić, Snežana D.",
year = "2010",
abstract = "Stacking interactions of terpyridyl square-planar complexes in crystal structures were studied analyzing data from the Cambridge Structural Database. In most of the crystal structures, two terpyridyl complexes were oriented "head-to-tail" or "head-to-head", with "head-to-tail orientation" being most prevalent. The number of structures with other orientations was very small. Based on the analysis of interacting geometries, we classified overlaps of terpyridyl complexes into six types. The types were defined by values of several geometrical parameters and all interactions of the same type had very similar overlap patterns.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "CrystEngComm",
title = "Classification of stacking interaction geometries of terpyridyl square-planar complexes in crystal structures",
volume = "12",
number = "11",
pages = "3773-3779",
doi = "10.1039/b917268h"
}

Janjić, G. V., Andrić, J. M., Kapor, A., Bugarcic, Z. D.,& Zarić, S. D.. (2010). Classification of stacking interaction geometries of terpyridyl square-planar complexes in crystal structures. in CrystEngComm
Royal Soc Chemistry, Cambridge., 12(11), 3773-3779.
https://doi.org/10.1039/b917268h

Janjić GV, Andrić JM, Kapor A, Bugarcic ZD, Zarić SD. Classification of stacking interaction geometries of terpyridyl square-planar complexes in crystal structures. in CrystEngComm. 2010;12(11):3773-3779.
doi:10.1039/b917268h .

Janjić, Goran V., Andrić, Jelena M., Kapor, Agnes, Bugarcic, Zivadin D., Zarić, Snežana D., "Classification of stacking interaction geometries of terpyridyl square-planar complexes in crystal structures" in CrystEngComm, 12, no. 11 (2010):3773-3779,
https://doi.org/10.1039/b917268h . .

TY  - JOUR
AU  - Janjić, Goran V.
AU  - Petrović, Predrag
AU  - Ninković, Dragan
AU  - Veljković, Dušan Ž.
AU  - Kapor, Agnes
AU  - Zarić, Snežana D.
PY  - 2010
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1159
AB  - In the crystal structures of terpyridyl complexes from the Cambridge Structural Database (CSD) stacking interaction between the pyridine fragments were studied. Square-planar complexes where the distance between the centers of two pyridine fragments was below 4.6 angstrom were retrieved from CSD. With this search 68 crystal structures with 167 interactions were found. In the interactions one, two or three pyridine fragments of one complex can be involved in overlapping with pyridine fragments of the other complex.
PB  - Univ Babes-Bolyai, Cluj-Napoca
T2  - Studia Universitatis Babes-Bolyai. Ser. Chemia
T1  - STACKING INTERACTIONS BETWEEN PYRIDINE FRAGMENTS IN CRYSTAL STRUCTURES OF TERPYRIDYL COMPLEXES
VL  - 55
IS  - 3
SP  - 165
EP  - 176
UR  - https://hdl.handle.net/21.15107/rcub_cherry_1159
ER  - 

@article{
author = "Janjić, Goran V. and Petrović, Predrag and Ninković, Dragan and Veljković, Dušan Ž. and Kapor, Agnes and Zarić, Snežana D.",
year = "2010",
abstract = "In the crystal structures of terpyridyl complexes from the Cambridge Structural Database (CSD) stacking interaction between the pyridine fragments were studied. Square-planar complexes where the distance between the centers of two pyridine fragments was below 4.6 angstrom were retrieved from CSD. With this search 68 crystal structures with 167 interactions were found. In the interactions one, two or three pyridine fragments of one complex can be involved in overlapping with pyridine fragments of the other complex.",
publisher = "Univ Babes-Bolyai, Cluj-Napoca",
journal = "Studia Universitatis Babes-Bolyai. Ser. Chemia",
title = "STACKING INTERACTIONS BETWEEN PYRIDINE FRAGMENTS IN CRYSTAL STRUCTURES OF TERPYRIDYL COMPLEXES",
volume = "55",
number = "3",
pages = "165-176",
url = "https://hdl.handle.net/21.15107/rcub_cherry_1159"
}

Janjić, G. V., Petrović, P., Ninković, D., Veljković, D. Ž., Kapor, A.,& Zarić, S. D.. (2010). STACKING INTERACTIONS BETWEEN PYRIDINE FRAGMENTS IN CRYSTAL STRUCTURES OF TERPYRIDYL COMPLEXES. in Studia Universitatis Babes-Bolyai. Ser. Chemia
Univ Babes-Bolyai, Cluj-Napoca., 55(3), 165-176.
https://hdl.handle.net/21.15107/rcub_cherry_1159

Janjić GV, Petrović P, Ninković D, Veljković DŽ, Kapor A, Zarić SD. STACKING INTERACTIONS BETWEEN PYRIDINE FRAGMENTS IN CRYSTAL STRUCTURES OF TERPYRIDYL COMPLEXES. in Studia Universitatis Babes-Bolyai. Ser. Chemia. 2010;55(3):165-176.
https://hdl.handle.net/21.15107/rcub_cherry_1159 .

Janjić, Goran V., Petrović, Predrag, Ninković, Dragan, Veljković, Dušan Ž., Kapor, Agnes, Zarić, Snežana D., "STACKING INTERACTIONS BETWEEN PYRIDINE FRAGMENTS IN CRYSTAL STRUCTURES OF TERPYRIDYL COMPLEXES" in Studia Universitatis Babes-Bolyai. Ser. Chemia, 55, no. 3 (2010):165-176,
https://hdl.handle.net/21.15107/rcub_cherry_1159 .

TY  - JOUR
AU  - Tomić, Zoran D.
AU  - Kapor, Agnes
AU  - Zmiric, Aleksandra
AU  - Leovac, Vukadin M.
AU  - Zobel, Dieter
AU  - Zarić, Snežana D.
PY  - 2007
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/830
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.
PB  - Elsevier Science Sa, Lausanne
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, Agnes 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.",
publisher = "Elsevier Science Sa, Lausanne",
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
Elsevier Science Sa, Lausanne., 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, Agnes, 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 . .