Six-coordinate Group-13 Complexes: Role of d-Orbitals and Electron-Rich Multi-center Bonding

by M. G. Goesten, C. Fonseca Guerra, F. Kapteijn, J. Gascon, F. M. Bickelhaupt
Year: 2015 ISSN: DOI: 10.1002/anie.201504864

Bibliography

M. G. Goesten, C. Fonseca Guerra, F. Kapteijn, J. Gascon, F. M. Bickelhaupt, Angew. Chemie Int. Ed. 54 (2015) 12034-12038, Six-coordinate Group-13 Complexes: Role of d-Orbitals and Electron-Rich Multi-center Bonding

Abstract

​Bonding in six-coordinate complexes based on Group 13 elements (B, Al, Ga, In, Tl) is usually considered to be identical to that in transition-metal analogues. We herein demonstrate through sophisticated electronic-structure analyses that the bonding in these Group 13 element complexes is fundamentally different and better characterized as electron-rich hypervalent bonding with essentially no role for the d orbitals. This characteristic is carried through to the molecular properties of the complex.

Keywords

Bond theory Coordination modes Hypervalent compounds Main group chemistry Molecular orbital theory