Collect. Czech. Chem. Commun. 2005, 70, 410-429

Polyhedral Oxaruthenaborane Chemistry. Characterisation of a [(η6-C6Me6)RuOB9H13] Species of arachno Eleven-Vertex Cluster Character and Other Aspects of Oxaborane Chemistry

Jonathan Bould, Mark Bown and John D. Kennedy*

The School of Chemistry of the University of Leeds, Leeds, UK LS2 9JT, England


[(η6-C6Me6)RuOB9H13], obtained in trace yield from the reaction between [{RuCl26-C6Me6)}2] and the [arachno-B6H11]- anion, has been shown by DFT calculations of structure and of boron-atom nuclear shielding to be of an arachno eleven-vertex cluster geometry that is derived by the removal of adjacent six-connected and five-connected vertices from a closed thirteen-vertex deltahedral 1:6:5:1 stack. The results lead to further considerations in oxaborane chemistry, which are explored and consolidated by calculation. Additional products from the reaction include [4-(η6-C6Me6)-n-arachno-4-RuB8H14], also substantiated by DFT calculations, and several four-, five-, six-, nine- and ten-vertex ruthenaboranes that are either known compounds or simple variants of known compounds.

Keywords: Borane cluster; Oxaboranes; Oxametallaboranes; DFT calculations; Ruthenaboranes; Metallaboranes; Crystal structure; X-Ray diffraction.

References: 65 live references.