TY  - JOUR
AU  - Malenov, Dušan P.
AU  - Ninković, Dragan
AU  - Sredojević, Dušan N.
AU  - Zarić, Snežana D.
PY  - 2018
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/340
AB  - In the above paper the results of the calculations performed with incompletely optimized structure of [Ni(C3H3O2)(HCO2)] were presented. In the optimized structure of [Ni(C3H3O2)(HCO2)], the electrostatic potential above nickel is more positive, and CCSD(T)/CBS interaction energies of Ni–ΩM, Ni–ΩΩ and Ni–ΩC geometries are −5.11 kcal mol−1, −4.24 kcal mol−1, and −4.58 kcal mol−1, respectively. The ωB97xD/def2-TZVP energies at the minima on the potential energy curve are −5.49 kcal mol−1 (at r=0.5 Å) and −4.82 kcal mol−1 (at r=3.0 Å). These errors do not change the discussion or conclusions in the text. The authors apologize for this oversight. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
T2  - Chemphyschem
T1  - Corrigendum to: Stacking of Benzene with Metal Chelates: Calculated CCSD(T)/CBS Interaction Energies and Potential-Energy Curves (ChemPhysChem, (2014), 15, 12, (2458-2461), 10.1002/cphc.201402114)
VL  - 19
IS  - 15
SP  - 1932
DO  - 10.1002/cphc.201800549
ER  - 

@article{
author = "Malenov, Dušan P. and Ninković, Dragan and Sredojević, Dušan N. and Zarić, Snežana D.",
year = "2018",
abstract = "In the above paper the results of the calculations performed with incompletely optimized structure of [Ni(C3H3O2)(HCO2)] were presented. In the optimized structure of [Ni(C3H3O2)(HCO2)], the electrostatic potential above nickel is more positive, and CCSD(T)/CBS interaction energies of Ni–ΩM, Ni–ΩΩ and Ni–ΩC geometries are −5.11 kcal mol−1, −4.24 kcal mol−1, and −4.58 kcal mol−1, respectively. The ωB97xD/def2-TZVP energies at the minima on the potential energy curve are −5.49 kcal mol−1 (at r=0.5 Å) and −4.82 kcal mol−1 (at r=3.0 Å). These errors do not change the discussion or conclusions in the text. The authors apologize for this oversight. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim",
journal = "Chemphyschem",
title = "Corrigendum to: Stacking of Benzene with Metal Chelates: Calculated CCSD(T)/CBS Interaction Energies and Potential-Energy Curves (ChemPhysChem, (2014), 15, 12, (2458-2461), 10.1002/cphc.201402114)",
volume = "19",
number = "15",
pages = "1932",
doi = "10.1002/cphc.201800549"
}

Malenov, D. P., Ninković, D., Sredojević, D. N.,& Zarić, S. D.. (2018). Corrigendum to: Stacking of Benzene with Metal Chelates: Calculated CCSD(T)/CBS Interaction Energies and Potential-Energy Curves (ChemPhysChem, (2014), 15, 12, (2458-2461), 10.1002/cphc.201402114). in Chemphyschem, 19(15), 1932.
https://doi.org/10.1002/cphc.201800549

Malenov DP, Ninković D, Sredojević DN, Zarić SD. Corrigendum to: Stacking of Benzene with Metal Chelates: Calculated CCSD(T)/CBS Interaction Energies and Potential-Energy Curves (ChemPhysChem, (2014), 15, 12, (2458-2461), 10.1002/cphc.201402114). in Chemphyschem. 2018;19(15):1932.
doi:10.1002/cphc.201800549 .

Malenov, Dušan P., Ninković, Dragan, Sredojević, Dušan N., Zarić, Snežana D., "Corrigendum to: Stacking of Benzene with Metal Chelates: Calculated CCSD(T)/CBS Interaction Energies and Potential-Energy Curves (ChemPhysChem, (2014), 15, 12, (2458-2461), 10.1002/cphc.201402114)" in Chemphyschem, 19, no. 15 (2018):1932,
https://doi.org/10.1002/cphc.201800549 . .

TY  - JOUR
AU  - Sredojević, Dušan N.
AU  - Petrović, Predrag
AU  - Janjić, Goran V.
AU  - Brothers, Edward N.
AU  - Hall, Michael B.
AU  - Zarić, Snežana D.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2037
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 N. and Petrović, Predrag and Janjić, Goran V. 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. N., Petrović, P., Janjić, G. V., 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 DN, Petrović P, Janjić GV, 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 N., Petrović, Predrag, Janjić, Goran V., 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  - Malenov, Dušan P.
AU  - Ninković, Dragan
AU  - Sredojević, Dušan N.
AU  - Zarić, Snežana D.
PY  - 2014
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1830
AB  - Accurate values for the energies of stacking interactions of nickel-and copper-based six-membered chelate rings with benzene are calculated at the CCSD(T)/CBS level. The results show that calculations made at the omega B97xD/def2-TZVP level are in excellent agreement with CCSD(T)/CBS values. The energies of [Cu(C3H3O2)(HCO2)] and [Ni(C3H3O2)(HCO2)] chelates stacking with benzene are -6.39 and -4.77 kcal mol(-1), respectively. Understanding these interactions might be important for materials with properties that are dependent on stacking interactions.
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - Chemphyschem
T1  - Stacking of Benzene with Metal Chelates: Calculated CCSD(T)/CBS Interaction Energies and Potential-Energy Curves
VL  - 15
IS  - 12
SP  - 2458
EP  - 2461
DO  - 10.1002/cphc.201402114
ER  - 

@article{
author = "Malenov, Dušan P. and Ninković, Dragan and Sredojević, Dušan N. and Zarić, Snežana D.",
year = "2014",
abstract = "Accurate values for the energies of stacking interactions of nickel-and copper-based six-membered chelate rings with benzene are calculated at the CCSD(T)/CBS level. The results show that calculations made at the omega B97xD/def2-TZVP level are in excellent agreement with CCSD(T)/CBS values. The energies of [Cu(C3H3O2)(HCO2)] and [Ni(C3H3O2)(HCO2)] chelates stacking with benzene are -6.39 and -4.77 kcal mol(-1), respectively. Understanding these interactions might be important for materials with properties that are dependent on stacking interactions.",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "Chemphyschem",
title = "Stacking of Benzene with Metal Chelates: Calculated CCSD(T)/CBS Interaction Energies and Potential-Energy Curves",
volume = "15",
number = "12",
pages = "2458-2461",
doi = "10.1002/cphc.201402114"
}

Malenov, D. P., Ninković, D., Sredojević, D. N.,& Zarić, S. D.. (2014). Stacking of Benzene with Metal Chelates: Calculated CCSD(T)/CBS Interaction Energies and Potential-Energy Curves. in Chemphyschem
Wiley-V C H Verlag Gmbh, Weinheim., 15(12), 2458-2461.
https://doi.org/10.1002/cphc.201402114

Malenov DP, Ninković D, Sredojević DN, Zarić SD. Stacking of Benzene with Metal Chelates: Calculated CCSD(T)/CBS Interaction Energies and Potential-Energy Curves. in Chemphyschem. 2014;15(12):2458-2461.
doi:10.1002/cphc.201402114 .

Malenov, Dušan P., Ninković, Dragan, Sredojević, Dušan N., Zarić, Snežana D., "Stacking of Benzene with Metal Chelates: Calculated CCSD(T)/CBS Interaction Energies and Potential-Energy Curves" in Chemphyschem, 15, no. 12 (2014):2458-2461,
https://doi.org/10.1002/cphc.201402114 . .

TY  - JOUR
AU  - Sredojević, Dušan N.
AU  - Ninković, Dragan
AU  - Janjić, Goran V.
AU  - Zhou, Jia
AU  - Hall, Michael B.
AU  - Zarić, Snežana D.
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1365
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - Chemphyschem
T1  - Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies
VL  - 14
IS  - 9
SP  - 1797
EP  - 1800
DO  - 10.1002/cphc.201201062
ER  - 

@article{
author = "Sredojević, Dušan N. and Ninković, Dragan and Janjić, Goran V. and Zhou, Jia and Hall, Michael B. and Zarić, Snežana D.",
year = "2013",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "Chemphyschem",
title = "Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies",
volume = "14",
number = "9",
pages = "1797-1800",
doi = "10.1002/cphc.201201062"
}

Sredojević, D. N., Ninković, D., Janjić, G. V., Zhou, J., Hall, M. B.,& Zarić, S. D.. (2013). Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies. in Chemphyschem
Wiley-V C H Verlag Gmbh, Weinheim., 14(9), 1797-1800.
https://doi.org/10.1002/cphc.201201062

Sredojević DN, Ninković D, Janjić GV, Zhou J, Hall MB, Zarić SD. Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies. in Chemphyschem. 2013;14(9):1797-1800.
doi:10.1002/cphc.201201062 .

Sredojević, Dušan N., Ninković, Dragan, Janjić, Goran V., Zhou, Jia, Hall, Michael B., Zarić, Snežana D., "Stacking Interactions of Ni(acac) Chelates with Benzene: Calculated Interaction Energies" in Chemphyschem, 14, no. 9 (2013):1797-1800,
https://doi.org/10.1002/cphc.201201062 . .

TY  - DATA
AU  - Sredojević, Dušan N.
AU  - Ninković, Dragan
AU  - Janjić, Goran V.
AU  - Zhou, Jia
AU  - Hall, Michael B.
AU  - Zarić, Snežana D.
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3524
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - Chemphyschem
T1  - Supplementary data for article: Sredojevic, D. N.; Ninković, D.; Janjić, G. V.; Zhou, J.; Hall, M. B.; Zarić, S. Stacking Interactions of Ni(Acac) Chelates with Benzene: Calculated Interaction Energies. Chemphyschem 2013, 14 (9), 1797–1800. https://doi.org/10.1002/cphc.201201062
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3524
ER  - 

@misc{
author = "Sredojević, Dušan N. and Ninković, Dragan and Janjić, Goran V. and Zhou, Jia and Hall, Michael B. and Zarić, Snežana D.",
year = "2013",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "Chemphyschem",
title = "Supplementary data for article: Sredojevic, D. N.; Ninković, D.; Janjić, G. V.; Zhou, J.; Hall, M. B.; Zarić, S. Stacking Interactions of Ni(Acac) Chelates with Benzene: Calculated Interaction Energies. Chemphyschem 2013, 14 (9), 1797–1800. https://doi.org/10.1002/cphc.201201062",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3524"
}

Sredojević, D. N., Ninković, D., Janjić, G. V., Zhou, J., Hall, M. B.,& Zarić, S. D.. (2013). Supplementary data for article: Sredojevic, D. N.; Ninković, D.; Janjić, G. V.; Zhou, J.; Hall, M. B.; Zarić, S. Stacking Interactions of Ni(Acac) Chelates with Benzene: Calculated Interaction Energies. Chemphyschem 2013, 14 (9), 1797–1800. https://doi.org/10.1002/cphc.201201062. in Chemphyschem
Wiley-V C H Verlag Gmbh, Weinheim..
https://hdl.handle.net/21.15107/rcub_cherry_3524

Sredojević DN, Ninković D, Janjić GV, Zhou J, Hall MB, Zarić SD. Supplementary data for article: Sredojevic, D. N.; Ninković, D.; Janjić, G. V.; Zhou, J.; Hall, M. B.; Zarić, S. Stacking Interactions of Ni(Acac) Chelates with Benzene: Calculated Interaction Energies. Chemphyschem 2013, 14 (9), 1797–1800. https://doi.org/10.1002/cphc.201201062. in Chemphyschem. 2013;.
https://hdl.handle.net/21.15107/rcub_cherry_3524 .

Sredojević, Dušan N., Ninković, Dragan, Janjić, Goran V., Zhou, Jia, Hall, Michael B., Zarić, Snežana D., "Supplementary data for article: Sredojevic, D. N.; Ninković, D.; Janjić, G. V.; Zhou, J.; Hall, M. B.; Zarić, S. Stacking Interactions of Ni(Acac) Chelates with Benzene: Calculated Interaction Energies. Chemphyschem 2013, 14 (9), 1797–1800. https://doi.org/10.1002/cphc.201201062" in Chemphyschem (2013),
https://hdl.handle.net/21.15107/rcub_cherry_3524 .

TY  - JOUR
AU  - Sredojević, Dušan N.
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2012
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1298
AB  - Stacking interactions in the crystal structures of square-planar transition metal complexes from the Cambridge Structural Database with five-and six-membered chelate rings fused with C6-arom rings (arom = aromatic) were analyzed. The distribution of distances between the closest C6-arom-C6-arom and C6-arom-chelate contacts shows that in a large fraction of the intermolecular interactions the C6-arom ring of one molecule is closer to the chelate than to the C6-arom ring of the other molecule. These results indicate a possible preference of the C6-arom ring to form stacking contacts with the chelate rings. The preference is ubiquitous and does not depend on the metal type.
PB  - Wiley-Blackwell, Malden
T2  - Acta Crystallographica. Section B: Structural Science
T1  - Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings
VL  - 68
SP  - 261
EP  - 265
DO  - 10.1107/S0108768112012281
ER  - 

@article{
author = "Sredojević, Dušan N. and Vojislavljević-Vasilev, Dubravka and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2012",
abstract = "Stacking interactions in the crystal structures of square-planar transition metal complexes from the Cambridge Structural Database with five-and six-membered chelate rings fused with C6-arom rings (arom = aromatic) were analyzed. The distribution of distances between the closest C6-arom-C6-arom and C6-arom-chelate contacts shows that in a large fraction of the intermolecular interactions the C6-arom ring of one molecule is closer to the chelate than to the C6-arom ring of the other molecule. These results indicate a possible preference of the C6-arom ring to form stacking contacts with the chelate rings. The preference is ubiquitous and does not depend on the metal type.",
publisher = "Wiley-Blackwell, Malden",
journal = "Acta Crystallographica. Section B: Structural Science",
title = "Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings",
volume = "68",
pages = "261-265",
doi = "10.1107/S0108768112012281"
}

Sredojević, D. N., Vojislavljević-Vasilev, D., Tomić, Z. D.,& Zarić, S. D.. (2012). Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings. in Acta Crystallographica. Section B: Structural Science
Wiley-Blackwell, Malden., 68, 261-265.
https://doi.org/10.1107/S0108768112012281

Sredojević DN, Vojislavljević-Vasilev D, Tomić ZD, Zarić SD. Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings. in Acta Crystallographica. Section B: Structural Science. 2012;68:261-265.
doi:10.1107/S0108768112012281 .

Sredojević, Dušan N., Vojislavljević-Vasilev, Dubravka, Tomić, Zoran D., Zarić, Snežana D., "Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings" in Acta Crystallographica. Section B: Structural Science, 68 (2012):261-265,
https://doi.org/10.1107/S0108768112012281 . .

TY  - THES
AU  - Sredojević, Dušan N.
PY  - 2012
UR  - http://eteze.bg.ac.rs/application/showtheses?thesesId=1718
UR  - https://fedorabg.bg.ac.rs/fedora/get/o:9298/bdef:Content/download
UR  - http://vbs.rs/scripts/cobiss?command=DISPLAY&base=70036&RID=45194255
UR  - http://nardus.mpn.gov.rs/123456789/3504
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2656
AB  - Nekovalentne interakcije aromatičnih i drugih π-sistema, uključujući stekinginterakcije, su veoma važne u različitim molekulskim sistemima, od biomolekula dokristalnog pakovanja.U ovoj tezi je prvi put data evidencija o helat – helat steking interakcijama kojesu dobijene analizirajući kristalne strukture kvadratno – planarnih kompleksa prelaznihmetala iz Kembričke kristalografske banke podataka. Ova analiza je pokazala da helat –helat steking interakcije postoje u velikom broju kristalnih struktura neutralnihkvadratno – planarnih kompleksa. Geometrije ovih interakcija su slične geometrijamasteking interakcija aromatičnih organskih molekula.Steking interakcije u kristalnim strukturama kvadratno-planarnih kompleksa ukojima su helatni prstenovi kondenzovani sa C6H4 prstenovima su takođe analizirani.Raspodela rastojanja između najbližih C6H4 – C6H4 i C6H4 – helat kontakata pokazujuda je u velikoj frakciji intermolekulskih interakcija C6H4 prsten jednog molekula bližihelatnom nego C6H4 prstenu drugog molekula.Energije steking interakcija helatnih prstenova sa bilo kojim aromatičnimprstenom do sada nisu bile poznate. U ovom radu, predstavljene su energije stekinginterakcija acac-helatnih prstenova i benzena dobijene kvantno-hemijskim (ab initio iDFT-D) izračunavanjima. Izračunate energije benzena i acac-kompleksa su u prosekudva puta veće od energija dva molekula benzena.Takođe su date procene helat – helat steking interakcija koristeći DFT-D metodena sistemima [M(OC3H3O)(Cl)(CO)]2 (M = Ni, Pd, Pt) i [Pd(acac)(Cl)(CO)]2. Pokazalose da su helat – helat steking interakcije jače od helat – benzen interakcija i da energijemogu da se kreću do 17 kcal/mol...
AB  - Noncovalent interactions of aromatic and other π-systems, including stackinginteractions, are very important in various molecular systems, from biomolecules tocrystal packing.In this thesis for first time it was given the evidence of chelate-chelate stackinginteractions obtained by analyzing crystal structures of square-planar transition-metalcomplexes from the Cambridge Structural Database. This analysis showed that chelatechelatestacking interactions occur in a large number of the crystal structures of neutralsquare-planar complexes. Geometries of these interactions are similar to the geometriesof stacking interactions of organic aromatic molecules.Stacking interactions in the crystal structures of square-planar complexes inwhich chelate rings are fused with C6H4 rings were also analyzed. The distribution ofdistances between the closest C6H4 – C6H4 and C6H4 – chelate contacts shows that inlarge fraction of the intermolecular interactions C6H4-ring of one molecule is closer tochelate than to C6H4-ring of the other molecule.The energy of the stacking interaction of chelate rings with any aromatic ring isnot known. In this work, the energies of stacking interactions with benzene obtained bythe quantum chemical (ab initio and DFT-D) calculations are presented. The calculatedenergies of stacking interactions of benzene with acac-complexes are an average twotimes stronger that the stacking energy of two benzene rings.Also energies of chelate – chelate stacking interactions were evalueated usingDFT-D methods on [M(OC3H3O)(Cl)(CO)]2 (M = Ni, Pd, Pt) and [Pd(acac)(Cl)(CO)]2systems. It was shown that chelate – chelate stacking interactions are stronger thanchelate – benzene interactions with interaction energy up to 17 kcal/mol...
PB  - Универзитет у Београду, Хемијски факултет
T2  - Универзитет у Београду
T1  - Proučavanje steking interakcija helatnih prstenova u kvadratno-planarnim kompleksima prelaznih metala
T1  - Study of stacking interactions of the chelate rings in square-planar transition metal complexes
UR  - https://hdl.handle.net/21.15107/rcub_nardus_3504
ER  - 

@phdthesis{
author = "Sredojević, Dušan N.",
year = "2012",
abstract = "Nekovalentne interakcije aromatičnih i drugih π-sistema, uključujući stekinginterakcije, su veoma važne u različitim molekulskim sistemima, od biomolekula dokristalnog pakovanja.U ovoj tezi je prvi put data evidencija o helat – helat steking interakcijama kojesu dobijene analizirajući kristalne strukture kvadratno – planarnih kompleksa prelaznihmetala iz Kembričke kristalografske banke podataka. Ova analiza je pokazala da helat –helat steking interakcije postoje u velikom broju kristalnih struktura neutralnihkvadratno – planarnih kompleksa. Geometrije ovih interakcija su slične geometrijamasteking interakcija aromatičnih organskih molekula.Steking interakcije u kristalnim strukturama kvadratno-planarnih kompleksa ukojima su helatni prstenovi kondenzovani sa C6H4 prstenovima su takođe analizirani.Raspodela rastojanja između najbližih C6H4 – C6H4 i C6H4 – helat kontakata pokazujuda je u velikoj frakciji intermolekulskih interakcija C6H4 prsten jednog molekula bližihelatnom nego C6H4 prstenu drugog molekula.Energije steking interakcija helatnih prstenova sa bilo kojim aromatičnimprstenom do sada nisu bile poznate. U ovom radu, predstavljene su energije stekinginterakcija acac-helatnih prstenova i benzena dobijene kvantno-hemijskim (ab initio iDFT-D) izračunavanjima. Izračunate energije benzena i acac-kompleksa su u prosekudva puta veće od energija dva molekula benzena.Takođe su date procene helat – helat steking interakcija koristeći DFT-D metodena sistemima [M(OC3H3O)(Cl)(CO)]2 (M = Ni, Pd, Pt) i [Pd(acac)(Cl)(CO)]2. Pokazalose da su helat – helat steking interakcije jače od helat – benzen interakcija i da energijemogu da se kreću do 17 kcal/mol..., Noncovalent interactions of aromatic and other π-systems, including stackinginteractions, are very important in various molecular systems, from biomolecules tocrystal packing.In this thesis for first time it was given the evidence of chelate-chelate stackinginteractions obtained by analyzing crystal structures of square-planar transition-metalcomplexes from the Cambridge Structural Database. This analysis showed that chelatechelatestacking interactions occur in a large number of the crystal structures of neutralsquare-planar complexes. Geometries of these interactions are similar to the geometriesof stacking interactions of organic aromatic molecules.Stacking interactions in the crystal structures of square-planar complexes inwhich chelate rings are fused with C6H4 rings were also analyzed. The distribution ofdistances between the closest C6H4 – C6H4 and C6H4 – chelate contacts shows that inlarge fraction of the intermolecular interactions C6H4-ring of one molecule is closer tochelate than to C6H4-ring of the other molecule.The energy of the stacking interaction of chelate rings with any aromatic ring isnot known. In this work, the energies of stacking interactions with benzene obtained bythe quantum chemical (ab initio and DFT-D) calculations are presented. The calculatedenergies of stacking interactions of benzene with acac-complexes are an average twotimes stronger that the stacking energy of two benzene rings.Also energies of chelate – chelate stacking interactions were evalueated usingDFT-D methods on [M(OC3H3O)(Cl)(CO)]2 (M = Ni, Pd, Pt) and [Pd(acac)(Cl)(CO)]2systems. It was shown that chelate – chelate stacking interactions are stronger thanchelate – benzene interactions with interaction energy up to 17 kcal/mol...",
publisher = "Универзитет у Београду, Хемијски факултет",
journal = "Универзитет у Београду",
title = "Proučavanje steking interakcija helatnih prstenova u kvadratno-planarnim kompleksima prelaznih metala, Study of stacking interactions of the chelate rings in square-planar transition metal complexes",
url = "https://hdl.handle.net/21.15107/rcub_nardus_3504"
}

Sredojević, D. N.. (2012). Proučavanje steking interakcija helatnih prstenova u kvadratno-planarnim kompleksima prelaznih metala. in Универзитет у Београду
Универзитет у Београду, Хемијски факултет..
https://hdl.handle.net/21.15107/rcub_nardus_3504

Sredojević DN. Proučavanje steking interakcija helatnih prstenova u kvadratno-planarnim kompleksima prelaznih metala. in Универзитет у Београду. 2012;.
https://hdl.handle.net/21.15107/rcub_nardus_3504 .

Sredojević, Dušan N., "Proučavanje steking interakcija helatnih prstenova u kvadratno-planarnim kompleksima prelaznih metala" in Универзитет у Београду (2012),
https://hdl.handle.net/21.15107/rcub_nardus_3504 .

TY  - JOUR
AU  - Andrić, Jelena M.
AU  - Sredojević, Dušan N.
AU  - Zarić, Snežana D.
PY  - 2011
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/280
AB  - Department of Chemistry, University of Belgrade, Serbia Cambridge Structural Database (CSD) contains more than five hundred thousand crystal structures of small molecules. Around 150 new crystal structures are archived every day. The data archived in the CSD can help in various fields of research. Some of them are crystallography, structural chemistry, supramolecular chemistry, noncovalent interactions, drug design, and metal-ligand interactions. Using CSD data and informatics approach enables studies based on analysis of a large amount of data.
T2  - Hemijski pregled
T1  - Cambridge structural database (CSD)
T1  - Kembrička kristalografska banka podataka (CSD)
VL  - 52
IS  - 5
SP  - 133
EP  - 136
UR  - https://hdl.handle.net/21.15107/rcub_cherry_280
ER  - 

@article{
author = "Andrić, Jelena M. and Sredojević, Dušan N. and Zarić, Snežana D.",
year = "2011",
abstract = "Department of Chemistry, University of Belgrade, Serbia Cambridge Structural Database (CSD) contains more than five hundred thousand crystal structures of small molecules. Around 150 new crystal structures are archived every day. The data archived in the CSD can help in various fields of research. Some of them are crystallography, structural chemistry, supramolecular chemistry, noncovalent interactions, drug design, and metal-ligand interactions. Using CSD data and informatics approach enables studies based on analysis of a large amount of data.",
journal = "Hemijski pregled",
title = "Cambridge structural database (CSD), Kembrička kristalografska banka podataka (CSD)",
volume = "52",
number = "5",
pages = "133-136",
url = "https://hdl.handle.net/21.15107/rcub_cherry_280"
}

Andrić, J. M., Sredojević, D. N.,& Zarić, S. D.. (2011). Cambridge structural database (CSD). in Hemijski pregled, 52(5), 133-136.
https://hdl.handle.net/21.15107/rcub_cherry_280

Andrić JM, Sredojević DN, Zarić SD. Cambridge structural database (CSD). in Hemijski pregled. 2011;52(5):133-136.
https://hdl.handle.net/21.15107/rcub_cherry_280 .

Andrić, Jelena M., Sredojević, Dušan N., Zarić, Snežana D., "Cambridge structural database (CSD)" in Hemijski pregled, 52, no. 5 (2011):133-136,
https://hdl.handle.net/21.15107/rcub_cherry_280 .

TY  - JOUR
AU  - Ninković, Dragan
AU  - Janjić, Goran V.
AU  - Veljković, Dušan Ž.
AU  - Sredojević, Dušan N.
AU  - Zarić, Snežana D.
PY  - 2011
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1234
PB  - Wiley-Blackwell, Malden
T2  - Chemphyschem
T1  - What Are the Preferred Horizontal Displacements in Parallel Aromatic-Aromatic Interactions? Significant Interactions at Large Displacements
VL  - 12
IS  - 18
SP  - 3511
EP  - 3514
DO  - 10.1002/cphc.201100777
ER  - 

@article{
author = "Ninković, Dragan and Janjić, Goran V. and Veljković, Dušan Ž. and Sredojević, Dušan N. and Zarić, Snežana D.",
year = "2011",
publisher = "Wiley-Blackwell, Malden",
journal = "Chemphyschem",
title = "What Are the Preferred Horizontal Displacements in Parallel Aromatic-Aromatic Interactions? Significant Interactions at Large Displacements",
volume = "12",
number = "18",
pages = "3511-3514",
doi = "10.1002/cphc.201100777"
}

Ninković, D., Janjić, G. V., Veljković, D. Ž., Sredojević, D. N.,& Zarić, S. D.. (2011). What Are the Preferred Horizontal Displacements in Parallel Aromatic-Aromatic Interactions? Significant Interactions at Large Displacements. in Chemphyschem
Wiley-Blackwell, Malden., 12(18), 3511-3514.
https://doi.org/10.1002/cphc.201100777

Ninković D, Janjić GV, Veljković DŽ, Sredojević DN, Zarić SD. What Are the Preferred Horizontal Displacements in Parallel Aromatic-Aromatic Interactions? Significant Interactions at Large Displacements. in Chemphyschem. 2011;12(18):3511-3514.
doi:10.1002/cphc.201100777 .

Ninković, Dragan, Janjić, Goran V., Veljković, Dušan Ž., Sredojević, Dušan N., Zarić, Snežana D., "What Are the Preferred Horizontal Displacements in Parallel Aromatic-Aromatic Interactions? Significant Interactions at Large Displacements" in Chemphyschem, 12, no. 18 (2011):3511-3514,
https://doi.org/10.1002/cphc.201100777 . .

TY  - JOUR
AU  - Sredojević, Dušan N.
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2010
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1062
AB  - Evidence of chelate-chelate stacking interactions was obtained by analyzing crystal structures of square-planar transition-metal complexes from the Cambridge Structural Database. The analysis showed that chelate-chelate stacking interactions occur in a large number of the crystal structures of neutral square-planar complexes. We found 955 structures with 1866 chelate-chelate stacking interactions. In most of the structures, dictate rings are fused with other chelate rings or with organic aromatic rings; however, chelate chelate stacking interactions of isolated rings were also found. In order to describe the geometry of the chelate-chelate stacking interactions, several geometric parameters were analyzed. In most of the interactions, two chelate rings are in parallel or antiparallel orientation. The normal distances are similar to the distances of stacking interactions observed in other systems, while the offset of two interacting chelate rings can be different from that observed in other systems.
PB  - Amer Chemical Soc, Washington
T2  - Crystal Growth and Design
T1  - Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes
VL  - 10
IS  - 9
SP  - 3901
EP  - 3908
DO  - 10.1021/cg100312r
ER  - 

@article{
author = "Sredojević, Dušan N. and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2010",
abstract = "Evidence of chelate-chelate stacking interactions was obtained by analyzing crystal structures of square-planar transition-metal complexes from the Cambridge Structural Database. The analysis showed that chelate-chelate stacking interactions occur in a large number of the crystal structures of neutral square-planar complexes. We found 955 structures with 1866 chelate-chelate stacking interactions. In most of the structures, dictate rings are fused with other chelate rings or with organic aromatic rings; however, chelate chelate stacking interactions of isolated rings were also found. In order to describe the geometry of the chelate-chelate stacking interactions, several geometric parameters were analyzed. In most of the interactions, two chelate rings are in parallel or antiparallel orientation. The normal distances are similar to the distances of stacking interactions observed in other systems, while the offset of two interacting chelate rings can be different from that observed in other systems.",
publisher = "Amer Chemical Soc, Washington",
journal = "Crystal Growth and Design",
title = "Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes",
volume = "10",
number = "9",
pages = "3901-3908",
doi = "10.1021/cg100312r"
}

Sredojević, D. N., Tomić, Z. D.,& Zarić, S. D.. (2010). Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes. in Crystal Growth and Design
Amer Chemical Soc, Washington., 10(9), 3901-3908.
https://doi.org/10.1021/cg100312r

Sredojević DN, Tomić ZD, Zarić SD. Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes. in Crystal Growth and Design. 2010;10(9):3901-3908.
doi:10.1021/cg100312r .

Sredojević, Dušan N., Tomić, Zoran D., Zarić, Snežana D., "Evidence of Chelate-Chelate Stacking Interactions in Crystal Structures of Transition-Metal Complexes" in Crystal Growth and Design, 10, no. 9 (2010):3901-3908,
https://doi.org/10.1021/cg100312r . .

TY  - JOUR
AU  - Đukić, Jean-Pierre
AU  - Boulho, Cedric
AU  - Sredojević, Dušan N.
AU  - Scheeren, Carla
AU  - Zarić, Snežana D.
AU  - Ricard, Louis
AU  - Pfeffer, Michel
PY  - 2009
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1027
AB  - The stereospecificity of ligand exchange at the Ir-III centre of a cycloiridium arenetricarbonylchromium complex has been established experimentally by various analytical methods as well as by X-ray diffraction structural analysis and computational investigations. Two new cases of phenyl and methyl iridium(III) complexes have been prepared by reaction of (S-p*,R-Ir*)- chlorido(2-[(tricarbonyl)(eta(6)-phenylene-kappa C-1)chromium(0)]pyridine-kappa N) (pentamethylcyclopentadienyl)iridium(III) with PhMgBr and MeMgBr. The determining influence of electrostatic repulsion has been established by means of density functional theory at the Becke-Perdew/TZP(ZORA) level by using, among other means, energy partitioning analysis. It is also shown that the Cr(CO)(3) fragment is likely to ease the ionic cleavage of the Ir-Cl bond in chlorido cycloiridium tricarbonylchromium complexes in a way similar to that already established for the solvolysis of benzyl halide complexes, that is, through a direct interaction of the CP centre with the cationic Ir-III centre.
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - Chemistry. A European Journal
T1  - The Stereospecific Ligand Exchange at a Pseudo-Benzylic T-4 Iridium Centre in Planar-Chiral Cycloiridium (eta(6)-Arene)tricarbonylchromium Complexes
VL  - 15
IS  - 41
SP  - 10830
EP  - 10842
DO  - 10.1002/chem.200901344
ER  - 

@article{
author = "Đukić, Jean-Pierre and Boulho, Cedric and Sredojević, Dušan N. and Scheeren, Carla and Zarić, Snežana D. and Ricard, Louis and Pfeffer, Michel",
year = "2009",
abstract = "The stereospecificity of ligand exchange at the Ir-III centre of a cycloiridium arenetricarbonylchromium complex has been established experimentally by various analytical methods as well as by X-ray diffraction structural analysis and computational investigations. Two new cases of phenyl and methyl iridium(III) complexes have been prepared by reaction of (S-p*,R-Ir*)- chlorido(2-[(tricarbonyl)(eta(6)-phenylene-kappa C-1)chromium(0)]pyridine-kappa N) (pentamethylcyclopentadienyl)iridium(III) with PhMgBr and MeMgBr. The determining influence of electrostatic repulsion has been established by means of density functional theory at the Becke-Perdew/TZP(ZORA) level by using, among other means, energy partitioning analysis. It is also shown that the Cr(CO)(3) fragment is likely to ease the ionic cleavage of the Ir-Cl bond in chlorido cycloiridium tricarbonylchromium complexes in a way similar to that already established for the solvolysis of benzyl halide complexes, that is, through a direct interaction of the CP centre with the cationic Ir-III centre.",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "Chemistry. A European Journal",
title = "The Stereospecific Ligand Exchange at a Pseudo-Benzylic T-4 Iridium Centre in Planar-Chiral Cycloiridium (eta(6)-Arene)tricarbonylchromium Complexes",
volume = "15",
number = "41",
pages = "10830-10842",
doi = "10.1002/chem.200901344"
}

Đukić, J., Boulho, C., Sredojević, D. N., Scheeren, C., Zarić, S. D., Ricard, L.,& Pfeffer, M.. (2009). The Stereospecific Ligand Exchange at a Pseudo-Benzylic T-4 Iridium Centre in Planar-Chiral Cycloiridium (eta(6)-Arene)tricarbonylchromium Complexes. in Chemistry. A European Journal
Wiley-V C H Verlag Gmbh, Weinheim., 15(41), 10830-10842.
https://doi.org/10.1002/chem.200901344

Đukić J, Boulho C, Sredojević DN, Scheeren C, Zarić SD, Ricard L, Pfeffer M. The Stereospecific Ligand Exchange at a Pseudo-Benzylic T-4 Iridium Centre in Planar-Chiral Cycloiridium (eta(6)-Arene)tricarbonylchromium Complexes. in Chemistry. A European Journal. 2009;15(41):10830-10842.
doi:10.1002/chem.200901344 .

Đukić, Jean-Pierre, Boulho, Cedric, Sredojević, Dušan N., Scheeren, Carla, Zarić, Snežana D., Ricard, Louis, Pfeffer, Michel, "The Stereospecific Ligand Exchange at a Pseudo-Benzylic T-4 Iridium Centre in Planar-Chiral Cycloiridium (eta(6)-Arene)tricarbonylchromium Complexes" in Chemistry. A European Journal, 15, no. 41 (2009):10830-10842,
https://doi.org/10.1002/chem.200901344 . .

TY  - JOUR
AU  - Sredojević, Dušan N.
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2007
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/821
AB  - In order to find out whether metal type influences the stacking interactions of phenyl rings in square-planar complexes, geometrical parameters for Cu, Ni, Pd and Pt complexes, with and without chelate rings, were analyzed and compared. By searching the Cambridge Structural Database, 220 structures with Cu complexes, 211 with Ni complexes, 285 with Pd complexes, and 220 with Pt complexes were found. The results show that the chelate ring has a tendency to make the stacking interaction with the phenyl ring independent of metal type in the chelate ring. However, there are some differences among metals for complexes without a chelate ring. There are a number of structures containing Pd and Pt complexes, without chelate rings, that have short carbon-metal distances and parallel orientations of the phenyl ring with respect to the coordination plane. It was found that some of these complexes have a common fragment, CN, as a part of the ligands. This indicates that the CN supports stacking interactions of square planar complexes with the phenyl ring. (C) Versita Warsaw and Springer-Verlag Berlin Heidelberg. All rights reserved.
PB  - Versita, Warsaw 41
T2  - Central European Journal of Chemistry
T1  - Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes
VL  - 5
IS  - 1
SP  - 20
EP  - 31
DO  - 10.2478/s11532-006-0068-3
ER  - 

@article{
author = "Sredojević, Dušan N. and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2007",
abstract = "In order to find out whether metal type influences the stacking interactions of phenyl rings in square-planar complexes, geometrical parameters for Cu, Ni, Pd and Pt complexes, with and without chelate rings, were analyzed and compared. By searching the Cambridge Structural Database, 220 structures with Cu complexes, 211 with Ni complexes, 285 with Pd complexes, and 220 with Pt complexes were found. The results show that the chelate ring has a tendency to make the stacking interaction with the phenyl ring independent of metal type in the chelate ring. However, there are some differences among metals for complexes without a chelate ring. There are a number of structures containing Pd and Pt complexes, without chelate rings, that have short carbon-metal distances and parallel orientations of the phenyl ring with respect to the coordination plane. It was found that some of these complexes have a common fragment, CN, as a part of the ligands. This indicates that the CN supports stacking interactions of square planar complexes with the phenyl ring. (C) Versita Warsaw and Springer-Verlag Berlin Heidelberg. All rights reserved.",
publisher = "Versita, Warsaw 41",
journal = "Central European Journal of Chemistry",
title = "Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes",
volume = "5",
number = "1",
pages = "20-31",
doi = "10.2478/s11532-006-0068-3"
}

Sredojević, D. N., Tomić, Z. D.,& Zarić, S. D.. (2007). Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes. in Central European Journal of Chemistry
Versita, Warsaw 41., 5(1), 20-31.
https://doi.org/10.2478/s11532-006-0068-3

Sredojević DN, Tomić ZD, Zarić SD. Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes. in Central European Journal of Chemistry. 2007;5(1):20-31.
doi:10.2478/s11532-006-0068-3 .

Sredojević, Dušan N., Tomić, Zoran D., Zarić, Snežana D., "Influence of metal and ligand types on stacking interactions of phenyl rings with square-planar transition metal complexes" in Central European Journal of Chemistry, 5, no. 1 (2007):20-31,
https://doi.org/10.2478/s11532-006-0068-3 . .

TY  - JOUR
AU  - Sredojević, Dušan N.
AU  - Bogdanović, Goran A.
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2007
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/862
AB  - The crystal structures of square-planar transition-metal complexes from the Cambridge Structural Database (CSD) with close contacts between planar chelate rings and aryl rings containing six carbon atoms (C-6- aryl) were analyzed. Most of the chelate rings in these structures are fused with aromatic or other pi-delocalized chelate rings. The results show that planar chelate rings can be involved in stacking and CH-pi interactions with organic aryl rings. However, the number of stacking interactions is a few times larger than the number of CH-pi interactions. The analysis also shows that in almost all cases CH-pi interactions are formed only when stacking interactions are prevented by voluminous substituents. Hence, between planar chelate rings and C-6- aryl rings stacking interactions are preferred to CH-pi interactions.
PB  - Royal Soc Chemistry, Cambridge
T2  - CrystEngComm
T1  - Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes
VL  - 9
IS  - 9
SP  - 793
EP  - 798
DO  - 10.1039/b704302c
ER  - 

@article{
author = "Sredojević, Dušan N. and Bogdanović, Goran A. and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2007",
abstract = "The crystal structures of square-planar transition-metal complexes from the Cambridge Structural Database (CSD) with close contacts between planar chelate rings and aryl rings containing six carbon atoms (C-6- aryl) were analyzed. Most of the chelate rings in these structures are fused with aromatic or other pi-delocalized chelate rings. The results show that planar chelate rings can be involved in stacking and CH-pi interactions with organic aryl rings. However, the number of stacking interactions is a few times larger than the number of CH-pi interactions. The analysis also shows that in almost all cases CH-pi interactions are formed only when stacking interactions are prevented by voluminous substituents. Hence, between planar chelate rings and C-6- aryl rings stacking interactions are preferred to CH-pi interactions.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "CrystEngComm",
title = "Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes",
volume = "9",
number = "9",
pages = "793-798",
doi = "10.1039/b704302c"
}

Sredojević, D. N., Bogdanović, G. A., Tomić, Z. D.,& Zarić, S. D.. (2007). Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes. in CrystEngComm
Royal Soc Chemistry, Cambridge., 9(9), 793-798.
https://doi.org/10.1039/b704302c

Sredojević DN, Bogdanović GA, Tomić ZD, Zarić SD. Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes. in CrystEngComm. 2007;9(9):793-798.
doi:10.1039/b704302c .

Sredojević, Dušan N., Bogdanović, Goran A., Tomić, Zoran D., Zarić, Snežana D., "Stacking vs. CH-pi interactions between chelate and aryl rings in crystal structures of square-planar transition metal complexes" in CrystEngComm, 9, no. 9 (2007):793-798,
https://doi.org/10.1039/b704302c . .

TY  - JOUR
AU  - Milčić, Miloš K.
AU  - Medaković, Vesna
AU  - Sredojević, Dušan N.
AU  - Juranic, Nenad O.
AU  - Zarić, Snežana D.
PY  - 2006
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/781
AB  - CH/pi interactions between the coordinated acetylacetonato ligand and phenyl rings were analyzed in the crystal structures from the Cambridge Structural Database and by quantum chemical calculations. The acetylacetonato ligand may engage in two types of interactions: it can be hydrogen atom donor or acceptor. The analysis of crystal structures and calculations show that interactions with the acetylacetonato ligand acting as hydrogen atom donor depend on the metal in an acetylacetonato chelate ring; the chelate rings with soft metals make stronger interactions. The same trend was not observed in the interactions where the acetylacetonato chelate ring acts as the hydrogen atom acceptor.
PB  - Amer Chemical Soc, Washington
T2  - Inorganic Chemistry
T1  - Electron delocalization mediates the metal-dependent capacity for CH/pi interactions of acetylacetonato chelates
VL  - 45
IS  - 12
SP  - 4755
EP  - 4763
DO  - 10.1021/ic051926g
ER  - 

@article{
author = "Milčić, Miloš K. and Medaković, Vesna and Sredojević, Dušan N. and Juranic, Nenad O. and Zarić, Snežana D.",
year = "2006",
abstract = "CH/pi interactions between the coordinated acetylacetonato ligand and phenyl rings were analyzed in the crystal structures from the Cambridge Structural Database and by quantum chemical calculations. The acetylacetonato ligand may engage in two types of interactions: it can be hydrogen atom donor or acceptor. The analysis of crystal structures and calculations show that interactions with the acetylacetonato ligand acting as hydrogen atom donor depend on the metal in an acetylacetonato chelate ring; the chelate rings with soft metals make stronger interactions. The same trend was not observed in the interactions where the acetylacetonato chelate ring acts as the hydrogen atom acceptor.",
publisher = "Amer Chemical Soc, Washington",
journal = "Inorganic Chemistry",
title = "Electron delocalization mediates the metal-dependent capacity for CH/pi interactions of acetylacetonato chelates",
volume = "45",
number = "12",
pages = "4755-4763",
doi = "10.1021/ic051926g"
}

Milčić, M. K., Medaković, V., Sredojević, D. N., Juranic, N. O.,& Zarić, S. D.. (2006). Electron delocalization mediates the metal-dependent capacity for CH/pi interactions of acetylacetonato chelates. in Inorganic Chemistry
Amer Chemical Soc, Washington., 45(12), 4755-4763.
https://doi.org/10.1021/ic051926g

Milčić MK, Medaković V, Sredojević DN, Juranic NO, Zarić SD. Electron delocalization mediates the metal-dependent capacity for CH/pi interactions of acetylacetonato chelates. in Inorganic Chemistry. 2006;45(12):4755-4763.
doi:10.1021/ic051926g .

Milčić, Miloš K., Medaković, Vesna, Sredojević, Dušan N., Juranic, Nenad O., Zarić, Snežana D., "Electron delocalization mediates the metal-dependent capacity for CH/pi interactions of acetylacetonato chelates" in Inorganic Chemistry, 45, no. 12 (2006):4755-4763,
https://doi.org/10.1021/ic051926g . .

TY  - JOUR
AU  - Tomić, Zoran D.
AU  - Sredojević, Dušan N.
AU  - Zarić, Snežana D.
PY  - 2006
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/750
AB  - Analysis of geometrical parameters in the crystal structure of square-planar complexes, with and without chelate rings, of all transition metals from Cambridge Structural Database shows that there are stacking interactions between the phenyl ring and the chelate ring with delocalized pi-bonds. Short distances between the metal and carbon atom of the phenyl ring and parallel orientation of phenyl ring with respect to the coordination plane were found in the crystal strucutres of complexes with chelate rings. There is a correlation of the distances between the centers of chelate and phenyl rings and the metal-carbon distances showing that the chelate and phenyl rings tend to overlap. In the crystal structures, there are mutual slipped-parallel orientations of the phenyl and chelate rings. The data show that the geometry of the stacking interaction between phenyl and chelate rings is similar to the geometry of the stacking interaction of two benzene rings, indicating that chelate rings can behave similarly to organic aromatic rings.
PB  - Amer Chemical Soc, Washington
T2  - Crystal Growth and Design
T1  - Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes
VL  - 6
IS  - 1
SP  - 29
EP  - 31
DO  - 10.1021/cg050392r
ER  - 

@article{
author = "Tomić, Zoran D. and Sredojević, Dušan N. and Zarić, Snežana D.",
year = "2006",
abstract = "Analysis of geometrical parameters in the crystal structure of square-planar complexes, with and without chelate rings, of all transition metals from Cambridge Structural Database shows that there are stacking interactions between the phenyl ring and the chelate ring with delocalized pi-bonds. Short distances between the metal and carbon atom of the phenyl ring and parallel orientation of phenyl ring with respect to the coordination plane were found in the crystal strucutres of complexes with chelate rings. There is a correlation of the distances between the centers of chelate and phenyl rings and the metal-carbon distances showing that the chelate and phenyl rings tend to overlap. In the crystal structures, there are mutual slipped-parallel orientations of the phenyl and chelate rings. The data show that the geometry of the stacking interaction between phenyl and chelate rings is similar to the geometry of the stacking interaction of two benzene rings, indicating that chelate rings can behave similarly to organic aromatic rings.",
publisher = "Amer Chemical Soc, Washington",
journal = "Crystal Growth and Design",
title = "Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes",
volume = "6",
number = "1",
pages = "29-31",
doi = "10.1021/cg050392r"
}

Tomić, Z. D., Sredojević, D. N.,& Zarić, S. D.. (2006). Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes. in Crystal Growth and Design
Amer Chemical Soc, Washington., 6(1), 29-31.
https://doi.org/10.1021/cg050392r

Tomić ZD, Sredojević DN, Zarić SD. Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes. in Crystal Growth and Design. 2006;6(1):29-31.
doi:10.1021/cg050392r .

Tomić, Zoran D., Sredojević, Dušan N., Zarić, Snežana D., "Stacking interactions between chelate and phenyl rings in square-planar transition metal complexes" in Crystal Growth and Design, 6, no. 1 (2006):29-31,
https://doi.org/10.1021/cg050392r . .

TY  - JOUR
AU  - Milčić, Miloš K.
AU  - Sredojević, Dušan N.
AU  - Zarić, Snežana D.
PY  - 2005
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/257
AB  - The Cation-¶ interaction is recognized as an important noncovalent bonding force in a wide range of molecular systems. The gas-phase studies of ion-molecule complexes established that Cation-¶ bind strongly to simple aromatic systems. High-level theoretical studies of ion-molecule systems have shown excellent agreement between calculated and experimental bonding energies. It has been documented that Cation-¶ interactions are important for molecular recognition in many biological systems. Investigations of Cation-¶ interactions in proteins and peptides show that Cation-¶ interaction pairs contribute at least as much to protein stability and the structural motifs of native protein as more conventional interactions. Interactions of cationic metal complexes with ¶ systems had been observed and investigated.
AB  - Katjon-¶ interakcije predstavljaju veoma važan tip nekovalentnih veza u mnogim molekulskim sistemima i važne su za molekulska prepoznavanja u mnogim biološkim sistemima. Gasno-fazna ispitivanja jonsko-molekulskih kompleksa pokazala su da se katjoni vezuju za jednostavne aromatične sisteme velikom jačinom. Smatra se da katjon-¶ interakcije sa proteinima i peptidima podjednako doprinose stabilnosti proteina kao i strukturni motivi nativnih proteina. U ovom radu dat je pregled interakcija katjonskih kompleksa metala sa ¶ sistemima.
T2  - Hemijski pregled
T1  - Cation-¶ interactions
T1  - Katjon-¶ interakcije
VL  - 46
IS  - 6
SP  - 130
EP  - 134
UR  - https://hdl.handle.net/21.15107/rcub_cherry_257
ER  - 

@article{
author = "Milčić, Miloš K. and Sredojević, Dušan N. and Zarić, Snežana D.",
year = "2005",
abstract = "The Cation-¶ interaction is recognized as an important noncovalent bonding force in a wide range of molecular systems. The gas-phase studies of ion-molecule complexes established that Cation-¶ bind strongly to simple aromatic systems. High-level theoretical studies of ion-molecule systems have shown excellent agreement between calculated and experimental bonding energies. It has been documented that Cation-¶ interactions are important for molecular recognition in many biological systems. Investigations of Cation-¶ interactions in proteins and peptides show that Cation-¶ interaction pairs contribute at least as much to protein stability and the structural motifs of native protein as more conventional interactions. Interactions of cationic metal complexes with ¶ systems had been observed and investigated., Katjon-¶ interakcije predstavljaju veoma važan tip nekovalentnih veza u mnogim molekulskim sistemima i važne su za molekulska prepoznavanja u mnogim biološkim sistemima. Gasno-fazna ispitivanja jonsko-molekulskih kompleksa pokazala su da se katjoni vezuju za jednostavne aromatične sisteme velikom jačinom. Smatra se da katjon-¶ interakcije sa proteinima i peptidima podjednako doprinose stabilnosti proteina kao i strukturni motivi nativnih proteina. U ovom radu dat je pregled interakcija katjonskih kompleksa metala sa ¶ sistemima.",
journal = "Hemijski pregled",
title = "Cation-¶ interactions, Katjon-¶ interakcije",
volume = "46",
number = "6",
pages = "130-134",
url = "https://hdl.handle.net/21.15107/rcub_cherry_257"
}

Milčić, M. K., Sredojević, D. N.,& Zarić, S. D.. (2005). Cation-¶ interactions. in Hemijski pregled, 46(6), 130-134.
https://hdl.handle.net/21.15107/rcub_cherry_257

Milčić MK, Sredojević DN, Zarić SD. Cation-¶ interactions. in Hemijski pregled. 2005;46(6):130-134.
https://hdl.handle.net/21.15107/rcub_cherry_257 .

Milčić, Miloš K., Sredojević, Dušan N., Zarić, Snežana D., "Cation-¶ interactions" in Hemijski pregled, 46, no. 6 (2005):130-134,
https://hdl.handle.net/21.15107/rcub_cherry_257 .