Noncovalent interactions of metal complexes
Autori
Ninković, DraganMalenov, Dušan P.
Veljković, Dušan Ž.
Andrić, Jelena M.
Vojislavljević-Vasilev, Dubravka
Veljković, Ivana S.
Zarić, Snežana D.
Konferencijski prilog (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
We studied noncovalent interactions of metal complexes and described several new
types of these interactions. Our studies are based on analyzing data in crystal structures
from the Cambridge Structural Database (CSD) and on quantum chemical calculations.
The analysis of the data from the CSD enable to recognize interactions in crystal
structures and to describe the geometries of these interactions, while by quantum
chemical calculations we can evaluate interaction energies and find the most stable
interaction geometries.
Our study of planar metal-chelate rings interactions, based on data in the CSD, showed
possibility of chelate ring stacking interactions with organic aromatic rings, and
stacking interactions between two chelate rings in crystal structures. The quantum
chemical calculations indicate strong stacking interactions of metal-chelate rings; the
stacking of metal- chelate rings is stronger than stacking between two benzene
molecules.
Studies of interac...tions of coordinated water and ammonia indicate stronger hydrogen
bonds and stronger OH/π and NH/π interactions of coordinated in comparison to
noncoordianted water and ammonia. Namely in the crystal structures the interaction
distances are shorter, while the calculations show larger interactions energies.
The calculations on OH/M interactions between metal ion in square-planar complexes
and water molecule indicate that these interactions are among the strongest hydrogen
bonds in any molecular system.
Izvor:
XVII International Conference on Coordination and Bioinorganic Chemistry, Progressive Trends in Coordination, Bioinorganic, and Applied Inorganic Chemistry, Smolenice, Slovakia, June 2-7, 2019, 2019, 122-122Kolekcije
Institucija/grupa
Hemijski fakultet / Faculty of ChemistryTY - CONF AU - Ninković, Dragan AU - Malenov, Dušan P. AU - Veljković, Dušan Ž. AU - Andrić, Jelena M. AU - Vojislavljević-Vasilev, Dubravka AU - Veljković, Ivana S. AU - Zarić, Snežana D. PY - 2019 UR - http://cherry.chem.bg.ac.rs/handle/123456789/5378 AB - We studied noncovalent interactions of metal complexes and described several new types of these interactions. Our studies are based on analyzing data in crystal structures from the Cambridge Structural Database (CSD) and on quantum chemical calculations. The analysis of the data from the CSD enable to recognize interactions in crystal structures and to describe the geometries of these interactions, while by quantum chemical calculations we can evaluate interaction energies and find the most stable interaction geometries. Our study of planar metal-chelate rings interactions, based on data in the CSD, showed possibility of chelate ring stacking interactions with organic aromatic rings, and stacking interactions between two chelate rings in crystal structures. The quantum chemical calculations indicate strong stacking interactions of metal-chelate rings; the stacking of metal- chelate rings is stronger than stacking between two benzene molecules. Studies of interactions of coordinated water and ammonia indicate stronger hydrogen bonds and stronger OH/π and NH/π interactions of coordinated in comparison to noncoordianted water and ammonia. Namely in the crystal structures the interaction distances are shorter, while the calculations show larger interactions energies. The calculations on OH/M interactions between metal ion in square-planar complexes and water molecule indicate that these interactions are among the strongest hydrogen bonds in any molecular system. C3 - XVII International Conference on Coordination and Bioinorganic Chemistry, Progressive Trends in Coordination, Bioinorganic, and Applied Inorganic Chemistry, Smolenice, Slovakia, June 2-7, 2019 T1 - Noncovalent interactions of metal complexes SP - 122 EP - 122 UR - https://hdl.handle.net/21.15107/rcub_cherry_5378 ER -
@conference{ author = "Ninković, Dragan and Malenov, Dušan P. and Veljković, Dušan Ž. and Andrić, Jelena M. and Vojislavljević-Vasilev, Dubravka and Veljković, Ivana S. and Zarić, Snežana D.", year = "2019", abstract = "We studied noncovalent interactions of metal complexes and described several new types of these interactions. Our studies are based on analyzing data in crystal structures from the Cambridge Structural Database (CSD) and on quantum chemical calculations. The analysis of the data from the CSD enable to recognize interactions in crystal structures and to describe the geometries of these interactions, while by quantum chemical calculations we can evaluate interaction energies and find the most stable interaction geometries. Our study of planar metal-chelate rings interactions, based on data in the CSD, showed possibility of chelate ring stacking interactions with organic aromatic rings, and stacking interactions between two chelate rings in crystal structures. The quantum chemical calculations indicate strong stacking interactions of metal-chelate rings; the stacking of metal- chelate rings is stronger than stacking between two benzene molecules. Studies of interactions of coordinated water and ammonia indicate stronger hydrogen bonds and stronger OH/π and NH/π interactions of coordinated in comparison to noncoordianted water and ammonia. Namely in the crystal structures the interaction distances are shorter, while the calculations show larger interactions energies. The calculations on OH/M interactions between metal ion in square-planar complexes and water molecule indicate that these interactions are among the strongest hydrogen bonds in any molecular system.", journal = "XVII International Conference on Coordination and Bioinorganic Chemistry, Progressive Trends in Coordination, Bioinorganic, and Applied Inorganic Chemistry, Smolenice, Slovakia, June 2-7, 2019", title = "Noncovalent interactions of metal complexes", pages = "122-122", url = "https://hdl.handle.net/21.15107/rcub_cherry_5378" }
Ninković, D., Malenov, D. P., Veljković, D. Ž., Andrić, J. M., Vojislavljević-Vasilev, D., Veljković, I. S.,& Zarić, S. D.. (2019). Noncovalent interactions of metal complexes. in XVII International Conference on Coordination and Bioinorganic Chemistry, Progressive Trends in Coordination, Bioinorganic, and Applied Inorganic Chemistry, Smolenice, Slovakia, June 2-7, 2019, 122-122. https://hdl.handle.net/21.15107/rcub_cherry_5378
Ninković D, Malenov DP, Veljković DŽ, Andrić JM, Vojislavljević-Vasilev D, Veljković IS, Zarić SD. Noncovalent interactions of metal complexes. in XVII International Conference on Coordination and Bioinorganic Chemistry, Progressive Trends in Coordination, Bioinorganic, and Applied Inorganic Chemistry, Smolenice, Slovakia, June 2-7, 2019. 2019;:122-122. https://hdl.handle.net/21.15107/rcub_cherry_5378 .
Ninković, Dragan, Malenov, Dušan P., Veljković, Dušan Ž., Andrić, Jelena M., Vojislavljević-Vasilev, Dubravka, Veljković, Ivana S., Zarić, Snežana D., "Noncovalent interactions of metal complexes" in XVII International Conference on Coordination and Bioinorganic Chemistry, Progressive Trends in Coordination, Bioinorganic, and Applied Inorganic Chemistry, Smolenice, Slovakia, June 2-7, 2019 (2019):122-122, https://hdl.handle.net/21.15107/rcub_cherry_5378 .