On the incidence of non-covalent intramolecular interligand interactions on the conformation of carbene complexes: a case study

Dalton Trans. 2013 Jan 28;42(4):898-901. doi: 10.1039/c2dt32554c.

Abstract

The prevalence of a counterintuitive carbene conformation in a series of piano-stool Mn(I) alkylalkoxycarbene complexes was rationalized by means of DFT calculations and high-resolution XRD analysis in terms of stabilizing non-covalent C-H···C≡O interligand interactions.