Journal of Siberian Federal University. Chemistry / Metal–Metal and Metal–Ligand Bonding in Trinuclear Vinylidene Rhenium-Iron-Platinum Complex Studied by Topological Analysis of Electron Density

Full text (.pdf)
Issue
Journal of Siberian Federal University. Chemistry. 2020 13 (4)
Authors
Shor, Aleksey M.; Laletina, Svetlana S.; Rubaylo, Anatoly I.; Ivanova-Shor, Elena A.
Contact information
Shor, Aleksey M.: Institute of Chemistry and Chemical Technology SB RAS FRC «Krasnoyarsk Science Center SB RAS» Krasnoyarsk, Russian Federation; Laletina, Svetlana S.: Institute of Chemistry and Chemical Technology SB RAS FRC «Krasnoyarsk Science Center SB RAS» Krasnoyarsk, Russian Federation; ; Rubaylo, Anatoly I.: Institute of Chemistry and Chemical Technology SB RAS FRC «Krasnoyarsk Science Center SB RAS» Krasnoyarsk, Russian Federation; Ivanova-Shor, Elena A.: Institute of Chemistry and Chemical Technology SB RAS FRC «Krasnoyarsk Science Center SB RAS» Krasnoyarsk, Russian Federation;
Keywords
Density functional method; topological analysis; vinylidene complexes; rhenium; platinum; iron
Abstract

Metal–metal and metal–ligand bonding in vinylidene ReFePt complex was studied by density functional method and topological analysis of electron density. Topological analysis did not found direct bonding between the metal atoms pointing to indirect metal–metal interaction mediated via the bridging vinylidene ligand. At the same time, the delocalization index δ(Fe,Pt) reveals the strong Fe–Pt interaction that allows for supposing a chemical bonding between these atoms

Pages
553–564
DOI
10.17516/1998-2836-0205
Paper at repository of SibFU
https://elib.sfu-kras.ru/handle/2311/137879