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

Abstract

[(η6-C6Me6)RuOB9H13], obtained in trace yield from the reaction between [{RuCl2(η6-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.