Electron delocalization mediates the metal-dependent capacity for CH/pi interactions of acetylacetonato chelates
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.
Source:
Inorganic Chemistry, 2006, 45, 12, 4755-4763Publisher:
- Amer Chemical Soc, Washington
Funding / projects:
- Proučavanje odnosa reaktivnosti, nekovalentnih interakcija i strukture molekula i modelovanje hemijskih sistema (RS-MESTD-MPN2006-2010-142037)
DOI: 10.1021/ic051926g
ISSN: 0020-1669
PubMed: 16749840
WoS: 000238029400025
Scopus: 2-s2.0-33745712903
Collections
Institution/Community
Hemijski fakultet / Faculty of ChemistryTY - 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 . .