Intramolecular MLOH/π and MLNH/π interactions in crystal structures of metal complexes
Abstract
Intramolecular metal-ligand OH/π (MLOH/π) and metal-ligand NH/π (MLNH/π) 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/π (X = O or N) interactions. Energy estimated by DFT calculations is approximately 19 kJ mol-1 for the MLOH/π interactions and approximately 15 kJ mol-1 for the MLNH/π interactions.
Keywords:
Ammine complexes / Aqua complexes / NH/p interactions / Noncovalent interactions / OH/p interactions / Transition metal complexesSource:
Chemical Papers, 2009, 63, 3, 298-305Publisher:
- Versita, Warsaw
Funding / projects:
DOI: 10.2478/s11696-009-0020-z
ISSN: 0366-6352
WoS: 000264546800007
Scopus: 2-s2.0-63049129233
Collections
Institution/Community
IHTMTY - JOUR AU - Janjić, Goran AU - Milčić, Miloš AU - Zarić, Snežana D. PY - 2009 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/590 AB - Intramolecular metal-ligand OH/π (MLOH/π) and metal-ligand NH/π (MLNH/π) 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/π (X = O or N) interactions. Energy estimated by DFT calculations is approximately 19 kJ mol-1 for the MLOH/π interactions and approximately 15 kJ mol-1 for the MLNH/π interactions. PB - Versita, Warsaw T2 - Chemical Papers T1 - Intramolecular MLOH/π and MLNH/π 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 and Milčić, Miloš and Zarić, Snežana D.", year = "2009", abstract = "Intramolecular metal-ligand OH/π (MLOH/π) and metal-ligand NH/π (MLNH/π) 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/π (X = O or N) interactions. Energy estimated by DFT calculations is approximately 19 kJ mol-1 for the MLOH/π interactions and approximately 15 kJ mol-1 for the MLNH/π interactions.", publisher = "Versita, Warsaw", journal = "Chemical Papers", title = "Intramolecular MLOH/π and MLNH/π interactions in crystal structures of metal complexes", volume = "63", number = "3", pages = "298-305", doi = "10.2478/s11696-009-0020-z" }
Janjić, G., Milčić, M.,& Zarić, S. D.. (2009). Intramolecular MLOH/π and MLNH/π interactions in crystal structures of metal complexes. in Chemical Papers Versita, Warsaw., 63(3), 298-305. https://doi.org/10.2478/s11696-009-0020-z
Janjić G, Milčić M, Zarić SD. Intramolecular MLOH/π and MLNH/π interactions in crystal structures of metal complexes. in Chemical Papers. 2009;63(3):298-305. doi:10.2478/s11696-009-0020-z .
Janjić, Goran, Milčić, Miloš, Zarić, Snežana D., "Intramolecular MLOH/π and MLNH/π interactions in crystal structures of metal complexes" in Chemical Papers, 63, no. 3 (2009):298-305, https://doi.org/10.2478/s11696-009-0020-z . .