A unifying bonding concept for metal hydrosilane complexes

Wolfgang Scherer; Petra Meixner; José Enrique Barquera-Lozada; Christoph Hauf; Andreas Obenhuber; Andreas Brück; David J Wolstenholme; Klaus Ruhland; Dirk Leusser; Dietmar Stalke

doi:10.1002/anie.201210224

A unifying bonding concept for metal hydrosilane complexes

Angew Chem Int Ed Engl. 2013 Jun 3;52(23):6092-6. doi: 10.1002/anie.201210224. Epub 2013 Apr 24.

Authors

Wolfgang Scherer¹, Petra Meixner, José Enrique Barquera-Lozada, Christoph Hauf, Andreas Obenhuber, Andreas Brück, David J Wolstenholme, Klaus Ruhland, Dirk Leusser, Dietmar Stalke

Affiliation

¹ Institut für Physik, Universität Augsburg, 86135 Augsburg, Germany. wolfgang.scherer@physik.uni-augsburg.de

PMID: 23616491
DOI: 10.1002/anie.201210224

Abstract

Experimental and theoretical charge density studies and molecular orbital analyses suggest that the complexes [Cp2Ti(PMe3)SiH2Ph2] (1) and [Cp2Ti(PMe3)SiHCl3] (2) display virtually the same electronic structures. No evidence for a significant interligand hypervalent interaction could be identified for 2. A bonding concept for transition-metal hydrosilane complexes aims to identify the true key parameters for a selective activation of the individual M-Si and Si-H bonds.