Journal of Siberian Federal University. Chemistry / Study of the Metal-Ligand Interaction in Rhodium Dicarbonyl Complexes with Diketonate and Iminoketonate Ligands

Full text (.pdf)
Issue
Journal of Siberian Federal University. Chemistry. 2023 16 (4)
Authors
Kormes, Elizaveta S.; Shor, Alexey M.; Rubaylo, Anatoliy I.; Ivanova- Shor, Elena A.
Contact information
Kormes, Elizaveta S.: Institute of Chemistry and Chemical Technology SB RAS Federal Research Center “Krasnoyarsk Scientific Center of the SB RAS” Krasnoyarsk, Russian Federation; ; Shor, Alexey M.: Institute of Chemistry and Chemical Technology SB RAS Federal Research Center “Krasnoyarsk Scientific Center of the SB RAS” Krasnoyarsk, Russian Federation; Rubaylo, Anatoliy I.: Institute of Chemistry and Chemical Technology SB RAS Federal Research Center “Krasnoyarsk Scientific Center of the SB RAS” Krasnoyarsk, Russian Federation; Ivanova- Shor, Elena A. : Institute of Chemistry and Chemical Technology SB RAS Federal Research Center “Krasnoyarsk Scientific Center of the SB RAS” Krasnoyarsk, Russian Federation
Keywords
NBO; QTAIM; ECDA; topological analysis; orbital interaction analysis; fragmentary analysis method; dicarbonyl complex; beta-diketonate; iminoketonate; rhodium; NBO; QTAIM; ECDA
Abstract

The electronic structure of dicarbonyl complexes of rhodium (I) with ligands (acetylacetone and iminoketonate) was studied by NBO, QTAIM, ECDA methods. It has been shown that the interaction between rhodium (I) dicarbonyl and chelate ligand can be characterized as ionic with a small proportion of covalent contribution. The ratio of ionic and covalent contributions is determined by the degree of toning of the electron density from the ligand to the metal center, which, in turn, depends on the electronegativity of the atoms that make up the ligand

Pages
518–530
EDN
MXAEIS
Paper at repository of SibFU
https://elib.sfu-kras.ru/handle/2311/152357