Intramolecular MLOH/pi and MLNH/pi interactions in crystal structures of metal complexes
Apstrakt
Intramolecular metal-ligand OH/pi (MLOH/pi) and metal-ligand NH/pi (MLNH/pi) interactions in transition metal complexes between aqua or ammine ligand and ligand containing a C6-aromatic ring were investigated in crystal structures deposited in the Cambridge Structural Database (CSD). These intramolecular interactions appear in 38 structures with aqua ligand as the hydrogen atom donor and in 10 structures with ammine ligand as the hydrogen atom donor. Among all these complexes only one is negatively charged, 14 are positively charged and 33 are neutral indicating that the overall charge of the molecule has an influence on the XH/pi (X = O or N) interactions. Energy estimated by DFT calculations is approximately 19 kJ mol(-1) for the MLOH/pi interactions and approximately 15 kJ mol(-1) for the MLNH/pi interactions.
Ključne reči:
noncovalent interactions / OH/pi interactions / NH/pi interactions / transition metal complexes / aqua complexes / ammine complexesIzvor:
Chemical Papers = Chemicke Zvesti, 2009, 63, 3, 298-305Izdavač:
- De Gruyter Open Ltd, Warsaw
Finansiranje / projekti:
- Proučavanje odnosa reaktivnosti, nekovalentnih interakcija i strukture molekula i modelovanje hemijskih sistema (RS-MESTD-MPN2006-2010-142037)
DOI: 10.2478/s11696-009-0020-z
ISSN: 0366-6352
WoS: 000264546800007
Scopus: 2-s2.0-63049129233
Kolekcije
Institucija/grupa
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Janjić, Goran V. AU - Milčić, Miloš K. AU - Zarić, Snežana D. PY - 2009 UR - https://cherry.chem.bg.ac.rs/handle/123456789/617 AB - Intramolecular metal-ligand OH/pi (MLOH/pi) and metal-ligand NH/pi (MLNH/pi) interactions in transition metal complexes between aqua or ammine ligand and ligand containing a C6-aromatic ring were investigated in crystal structures deposited in the Cambridge Structural Database (CSD). These intramolecular interactions appear in 38 structures with aqua ligand as the hydrogen atom donor and in 10 structures with ammine ligand as the hydrogen atom donor. Among all these complexes only one is negatively charged, 14 are positively charged and 33 are neutral indicating that the overall charge of the molecule has an influence on the XH/pi (X = O or N) interactions. Energy estimated by DFT calculations is approximately 19 kJ mol(-1) for the MLOH/pi interactions and approximately 15 kJ mol(-1) for the MLNH/pi interactions. PB - De Gruyter Open Ltd, Warsaw T2 - Chemical Papers = Chemicke Zvesti T1 - Intramolecular MLOH/pi and MLNH/pi interactions in crystal structures of metal complexes VL - 63 IS - 3 SP - 298 EP - 305 DO - 10.2478/s11696-009-0020-z ER -
@article{ author = "Janjić, Goran V. and Milčić, Miloš K. and Zarić, Snežana D.", year = "2009", abstract = "Intramolecular metal-ligand OH/pi (MLOH/pi) and metal-ligand NH/pi (MLNH/pi) interactions in transition metal complexes between aqua or ammine ligand and ligand containing a C6-aromatic ring were investigated in crystal structures deposited in the Cambridge Structural Database (CSD). These intramolecular interactions appear in 38 structures with aqua ligand as the hydrogen atom donor and in 10 structures with ammine ligand as the hydrogen atom donor. Among all these complexes only one is negatively charged, 14 are positively charged and 33 are neutral indicating that the overall charge of the molecule has an influence on the XH/pi (X = O or N) interactions. Energy estimated by DFT calculations is approximately 19 kJ mol(-1) for the MLOH/pi interactions and approximately 15 kJ mol(-1) for the MLNH/pi interactions.", publisher = "De Gruyter Open Ltd, Warsaw", journal = "Chemical Papers = Chemicke Zvesti", title = "Intramolecular MLOH/pi and MLNH/pi interactions in crystal structures of metal complexes", volume = "63", number = "3", pages = "298-305", doi = "10.2478/s11696-009-0020-z" }
Janjić, G. V., Milčić, M. K.,& Zarić, S. D.. (2009). Intramolecular MLOH/pi and MLNH/pi interactions in crystal structures of metal complexes. in Chemical Papers = Chemicke Zvesti De Gruyter Open Ltd, Warsaw., 63(3), 298-305. https://doi.org/10.2478/s11696-009-0020-z
Janjić GV, Milčić MK, Zarić SD. Intramolecular MLOH/pi and MLNH/pi interactions in crystal structures of metal complexes. in Chemical Papers = Chemicke Zvesti. 2009;63(3):298-305. doi:10.2478/s11696-009-0020-z .
Janjić, Goran V., Milčić, Miloš K., Zarić, Snežana D., "Intramolecular MLOH/pi and MLNH/pi interactions in crystal structures of metal complexes" in Chemical Papers = Chemicke Zvesti, 63, no. 3 (2009):298-305, https://doi.org/10.2478/s11696-009-0020-z . .