A capped trigonal pyramidal molybdenum hydrido complex and an unusually mild sulfur-carbon bond cleavage reaction.

Abstract

DFT calculations reveal that a reported molybdenum hydride complex has an unprecedented geometry with the molybdenum in the base of trigonal pyramid defined by three thiolate ligands with a phosphine ligand on the apex and a hydride capping a PS2 face. This complex reacts with methanol to produce a sulfido complex by a new reaction: the protonation of an ipso carbon of a thiolate ligand by coordinated methanol.