Issue 43, 2012

Multi-decker tricarbonyl-bridged sandwich complexes of transition metals: structure, stability and electron-counting rules

Abstract

Structures and stabilities of a new family of multi-decker tricarbonyl-bridged sandwich complexes of transition metals (Cr, Mn, Fe) have been studied using DFT B3LYP/6-311+G(df,p) calculations. Stable structures satisfy the (12n + 6) electron-counting rule, where n is the number of metal atoms. Lengthening of the molecular chains is accompanied by growth of aromaticity of the inner basal cycles, lowering of the aromaticity of the terminal basal cycles and decrease in the energy gap between the frontier orbitals.

Graphical abstract: Multi-decker tricarbonyl-bridged sandwich complexes of transition metals: structure, stability and electron-counting rules

Supplementary files

Article information

Article type
Paper
Submitted
01 Jun 2012
Accepted
26 Jun 2012
First published
26 Jun 2012

Phys. Chem. Chem. Phys., 2012,14, 14803-14809

Multi-decker tricarbonyl-bridged sandwich complexes of transition metals: structure, stability and electron-counting rules

T. N. Gribanova, R. M. Minyaev and V. I. Minkin, Phys. Chem. Chem. Phys., 2012, 14, 14803 DOI: 10.1039/C2CP41839H

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