B-Carboranyl Methyl Thioether Ligands in Coordination with the W(Co)5 Fragment

Abstract

Complexation of B-closo- and nido-carboranyl methyl thioethers with the pentacarbonyltungsten fragment was studied. An unusual instability of the nido-derivative is detected and rationalized by means of the quantum chemical calculations followed by the topological analysis of electron density and the Interacting Quantum Atoms analysis. The structure of {(CO)5W[9-MeS-1,2-C2B10H11-κ1-S(1)]} was determined by single crystal X-ray diffraction.

Keywords: carboranes, metallacarboranes, tungsten carbonyl, single crystal X-ray diffraction