TY  - JOUR
AU  - Sredojević, Dušan
AU  - Petrović, Predrag V.
AU  - Janjić, Goran
AU  - Brothers, Edward N
AU  - Hall, Michael B.
AU  - Zarić, Snežana D.
PY  - 2016
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1998
AB  - The strength of the stacking interactions in the bipy complexes of nickel, palladium, and platinum, [M(CN)(2)bipy](2) (M=Ni, Pd, Pt), was calculated using the omega B97xD/def2-TZVP method. The results show that for all considered geometries, interactions are the strongest for platinum, and weakest for nickel complexes, as a result of higher dispersion contributions of platinum over the palladium and nickel complexes. It was also shown that strength of interactions considerably rises with an increase of the stacking overlap area. As a consequence of the favorable electrostatic term, the strength of interactions also rises when metal atom and cyano ligands are involved in the overlap with bipy ligand. The strongest interaction was calculated in the platinum complex, for the geometry that has overlap of metal and cyano ligands with bipy ligand with an energy of -39.80 kcal mol(-1). The energies for similar geometries of palladiumand nickel complexes are -34.60 and -32.45 kcal mol(-1). These energies, remarkably, exceed the strength of the stacking interactions between organic aromatic molecules. These results can be of importance in all systems with stacking interactions, from materials to biomolecules.
PB  - Springer, New York
T2  - Journal of Molecular Modeling
T1  - The stacking interactions of bipyridine complexes: the influence of the metal ion type on the strength of interactions
VL  - 22
IS  - 1
DO  - 10.1007/s00894-015-2888-6
ER  - 

@article{
author = "Sredojević, Dušan and Petrović, Predrag V. and Janjić, Goran and Brothers, Edward N and Hall, Michael B. and Zarić, Snežana D.",
year = "2016",
abstract = "The strength of the stacking interactions in the bipy complexes of nickel, palladium, and platinum, [M(CN)(2)bipy](2) (M=Ni, Pd, Pt), was calculated using the omega B97xD/def2-TZVP method. The results show that for all considered geometries, interactions are the strongest for platinum, and weakest for nickel complexes, as a result of higher dispersion contributions of platinum over the palladium and nickel complexes. It was also shown that strength of interactions considerably rises with an increase of the stacking overlap area. As a consequence of the favorable electrostatic term, the strength of interactions also rises when metal atom and cyano ligands are involved in the overlap with bipy ligand. The strongest interaction was calculated in the platinum complex, for the geometry that has overlap of metal and cyano ligands with bipy ligand with an energy of -39.80 kcal mol(-1). The energies for similar geometries of palladiumand nickel complexes are -34.60 and -32.45 kcal mol(-1). These energies, remarkably, exceed the strength of the stacking interactions between organic aromatic molecules. These results can be of importance in all systems with stacking interactions, from materials to biomolecules.",
publisher = "Springer, New York",
journal = "Journal of Molecular Modeling",
title = "The stacking interactions of bipyridine complexes: the influence of the metal ion type on the strength of interactions",
volume = "22",
number = "1",
doi = "10.1007/s00894-015-2888-6"
}

Sredojević, D., Petrović, P. V., Janjić, G., Brothers, E. N., Hall, M. B.,& Zarić, S. D.. (2016). The stacking interactions of bipyridine complexes: the influence of the metal ion type on the strength of interactions. in Journal of Molecular Modeling
Springer, New York., 22(1).
https://doi.org/10.1007/s00894-015-2888-6

Sredojević D, Petrović PV, Janjić G, Brothers EN, Hall MB, Zarić SD. The stacking interactions of bipyridine complexes: the influence of the metal ion type on the strength of interactions. in Journal of Molecular Modeling. 2016;22(1).
doi:10.1007/s00894-015-2888-6 .

Sredojević, Dušan, Petrović, Predrag V., Janjić, Goran, Brothers, Edward N, Hall, Michael B., Zarić, Snežana D., "The stacking interactions of bipyridine complexes: the influence of the metal ion type on the strength of interactions" in Journal of Molecular Modeling, 22, no. 1 (2016),
https://doi.org/10.1007/s00894-015-2888-6 . .

TY  - JOUR
AU  - Šekularac, Gavrilo
AU  - Nikolić, Jasmina B.
AU  - Petrović, Predrag
AU  - Bugarski, Branko
AU  - Durovic, Boban
AU  - Drmanić, Saša Ž.
PY  - 2014
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1477
AB  - The isatin derivatives, Schiff bases, were synthesized by the reaction of isatin and various substituted primary amines and characterized by several spectroscopic methods. Investigation of the antimicrobial activity of the synthesized compounds was performed by the agar dilution method, against different strains of bacteria and one fungus. The antioxidative activity of the synthesized compounds was also determined. Some of the compounds showed significant activity against the selected strains of microorganisms and antioxidative activity.
PB  - Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Synthesis, antimicrobial and antioxidative activity of some new isatin derivatives
VL  - 79
IS  - 11
SP  - 1347
EP  - 1354
DO  - 10.2298/JSC140709084S
ER  - 

@article{
author = "Šekularac, Gavrilo and Nikolić, Jasmina B. and Petrović, Predrag and Bugarski, Branko and Durovic, Boban and Drmanić, Saša Ž.",
year = "2014",
abstract = "The isatin derivatives, Schiff bases, were synthesized by the reaction of isatin and various substituted primary amines and characterized by several spectroscopic methods. Investigation of the antimicrobial activity of the synthesized compounds was performed by the agar dilution method, against different strains of bacteria and one fungus. The antioxidative activity of the synthesized compounds was also determined. Some of the compounds showed significant activity against the selected strains of microorganisms and antioxidative activity.",
publisher = "Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Synthesis, antimicrobial and antioxidative activity of some new isatin derivatives",
volume = "79",
number = "11",
pages = "1347-1354",
doi = "10.2298/JSC140709084S"
}

Šekularac, G., Nikolić, J. B., Petrović, P., Bugarski, B., Durovic, B.,& Drmanić, S. Ž.. (2014). Synthesis, antimicrobial and antioxidative activity of some new isatin derivatives. in Journal of the Serbian Chemical Society
Serbian Chemical Society., 79(11), 1347-1354.
https://doi.org/10.2298/JSC140709084S

Šekularac G, Nikolić JB, Petrović P, Bugarski B, Durovic B, Drmanić SŽ. Synthesis, antimicrobial and antioxidative activity of some new isatin derivatives. in Journal of the Serbian Chemical Society. 2014;79(11):1347-1354.
doi:10.2298/JSC140709084S .

Šekularac, Gavrilo, Nikolić, Jasmina B., Petrović, Predrag, Bugarski, Branko, Durovic, Boban, Drmanić, Saša Ž., "Synthesis, antimicrobial and antioxidative activity of some new isatin derivatives" in Journal of the Serbian Chemical Society, 79, no. 11 (2014):1347-1354,
https://doi.org/10.2298/JSC140709084S . .

TY  - JOUR
AU  - Petrović, Predrag V.
AU  - Janjić, Goran
AU  - Zarić, Snežana D.
PY  - 2014
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1573
AB  - Stacking interactions between square-planar metal complexes containing bipyridine ligands (bipy) were studied by analyzing data in the Cambridge Structural Database (CSD) and by density functional theory (DFT) calculations. In most of the crystal structures, two bipy complexes were head-to-tail oriented. On the basis of the data from CSD, we classified the overlaps of bipy complexes into six types. The types were defined by values of geometrical parameters, and the interactions of the same type have very similar overlap geometries. The most frequent are the structures with quite large overlap area including chelate rings and pyridine fragments. The overlap is often influenced by ligands coordinated at the third and fourth coordinating positions or by molecules (ions) from the environment in the crystal structure. The interaction energies of all types of overlap were calculated on model systems using the DFT (TPSS-D3) method. The strongest calculated interaction has an energy of 31.66 kcal/mol and large area of overlap. By decreasing the overlap area, the strength of interactions decreases. The weakest calculated interaction has an energy of 7.26 kcal/mol and the small overlap area of pyridine fragments. These results presenting the geometries and energies of stacking interactions can be very important for various molecular systems.
PB  - American Chemical Society (ACS)
T2  - Crystal Growth & Design
T1  - Stacking Interactions between Square-Planar Metal Complexes with 2,2'-Bipyridine Ligands. Analysis of Crystal Structures and Quantum Chemical Calculations
VL  - 14
IS  - 8
SP  - 3880
EP  - 3889
DO  - 10.1021/cg500447h
ER  - 

@article{
author = "Petrović, Predrag V. and Janjić, Goran and Zarić, Snežana D.",
year = "2014",
abstract = "Stacking interactions between square-planar metal complexes containing bipyridine ligands (bipy) were studied by analyzing data in the Cambridge Structural Database (CSD) and by density functional theory (DFT) calculations. In most of the crystal structures, two bipy complexes were head-to-tail oriented. On the basis of the data from CSD, we classified the overlaps of bipy complexes into six types. The types were defined by values of geometrical parameters, and the interactions of the same type have very similar overlap geometries. The most frequent are the structures with quite large overlap area including chelate rings and pyridine fragments. The overlap is often influenced by ligands coordinated at the third and fourth coordinating positions or by molecules (ions) from the environment in the crystal structure. The interaction energies of all types of overlap were calculated on model systems using the DFT (TPSS-D3) method. The strongest calculated interaction has an energy of 31.66 kcal/mol and large area of overlap. By decreasing the overlap area, the strength of interactions decreases. The weakest calculated interaction has an energy of 7.26 kcal/mol and the small overlap area of pyridine fragments. These results presenting the geometries and energies of stacking interactions can be very important for various molecular systems.",
publisher = "American Chemical Society (ACS)",
journal = "Crystal Growth & Design",
title = "Stacking Interactions between Square-Planar Metal Complexes with 2,2'-Bipyridine Ligands. Analysis of Crystal Structures and Quantum Chemical Calculations",
volume = "14",
number = "8",
pages = "3880-3889",
doi = "10.1021/cg500447h"
}

Petrović, P. V., Janjić, G.,& Zarić, S. D.. (2014). Stacking Interactions between Square-Planar Metal Complexes with 2,2'-Bipyridine Ligands. Analysis of Crystal Structures and Quantum Chemical Calculations. in Crystal Growth & Design
American Chemical Society (ACS)., 14(8), 3880-3889.
https://doi.org/10.1021/cg500447h

Petrović PV, Janjić G, Zarić SD. Stacking Interactions between Square-Planar Metal Complexes with 2,2'-Bipyridine Ligands. Analysis of Crystal Structures and Quantum Chemical Calculations. in Crystal Growth & Design. 2014;14(8):3880-3889.
doi:10.1021/cg500447h .

Petrović, Predrag V., Janjić, Goran, Zarić, Snežana D., "Stacking Interactions between Square-Planar Metal Complexes with 2,2'-Bipyridine Ligands. Analysis of Crystal Structures and Quantum Chemical Calculations" in Crystal Growth & Design, 14, no. 8 (2014):3880-3889,
https://doi.org/10.1021/cg500447h . .

TY  - JOUR
AU  - Janjić, Goran
AU  - Petrović, Predrag V.
AU  - Ninković, Dragan B.
AU  - Zarić, Snežana D.
PY  - 2011
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/797
AB  - Stacking interactions of phenanthroline square-planar complexes in crystal structures were studied by analyzing data from the Cambridge Structural Database. In most of the crystal structures, two phenanthroline complexes were oriented "head to tail." Phenanthroline complexes show a wide range of overlap geometries in stacking interactions, while short metal-metal distances were not observed. Stacking chains with alternating overlaps were the predominant type of packing in the crystal structures.
PB  - Springer, New York
T2  - Journal of Molecular Modeling
T1  - Geometries of stacking interactions between phenanthroline ligands in crystal structures of square-planar metal complexes
VL  - 17
IS  - 8
SP  - 2083
EP  - 2092
DO  - 10.1007/s00894-010-0905-3
ER  - 

@article{
author = "Janjić, Goran and Petrović, Predrag V. and Ninković, Dragan B. and Zarić, Snežana D.",
year = "2011",
abstract = "Stacking interactions of phenanthroline square-planar complexes in crystal structures were studied by analyzing data from the Cambridge Structural Database. In most of the crystal structures, two phenanthroline complexes were oriented "head to tail." Phenanthroline complexes show a wide range of overlap geometries in stacking interactions, while short metal-metal distances were not observed. Stacking chains with alternating overlaps were the predominant type of packing in the crystal structures.",
publisher = "Springer, New York",
journal = "Journal of Molecular Modeling",
title = "Geometries of stacking interactions between phenanthroline ligands in crystal structures of square-planar metal complexes",
volume = "17",
number = "8",
pages = "2083-2092",
doi = "10.1007/s00894-010-0905-3"
}

Janjić, G., Petrović, P. V., Ninković, D. B.,& Zarić, S. D.. (2011). Geometries of stacking interactions between phenanthroline ligands in crystal structures of square-planar metal complexes. in Journal of Molecular Modeling
Springer, New York., 17(8), 2083-2092.
https://doi.org/10.1007/s00894-010-0905-3

Janjić G, Petrović PV, Ninković DB, Zarić SD. Geometries of stacking interactions between phenanthroline ligands in crystal structures of square-planar metal complexes. in Journal of Molecular Modeling. 2011;17(8):2083-2092.
doi:10.1007/s00894-010-0905-3 .

Janjić, Goran, Petrović, Predrag V., Ninković, Dragan B., Zarić, Snežana D., "Geometries of stacking interactions between phenanthroline ligands in crystal structures of square-planar metal complexes" in Journal of Molecular Modeling, 17, no. 8 (2011):2083-2092,
https://doi.org/10.1007/s00894-010-0905-3 . .

TY  - JOUR
AU  - Janjić, Goran
AU  - Petrović, Predrag
AU  - Ninković, Dragan
AU  - Veljković, Dušan
AU  - Kapor, Agnes
AU  - Zarić, Snežana D.
PY  - 2010
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/691
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 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 and Petrović, Predrag and Ninković, Dragan and Veljković, Dušan 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 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., Petrović, P., Ninković, D., Veljković, D., Kapor, A.,& Zarić, S. D.. (2010). STACKING INTERACTIONS BETWEEN PYRIDINE FRAGMENTS IN CRYSTAL STRUCTURES OF TERPYRIDYL COMPLEXES. in Studia Universitatis Babes-Bolyai Chemia
Univ Babes-Bolyai, Cluj-Napoca., 55(3), 165-176.
https://hdl.handle.net/21.15107/rcub_cherry_1159

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

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