Carbon–hydrogen bond activation in cyclopentadienyl dimethyl tungsten nitrosyl and carbonyl†
Abstract
Mechanisms for generating tungsten carbene complexes from CpW(NO)(CH3)2, Cp*W(NO)(CH3)2 and [CpW(CO)(CH3)2]− by methane elimination were studied by density functional (B3LYP) computations. Based on the calculations, a one-step (σ-bond