Determination of the structure and geometry of N-heterocyclic carbenes on Au(111) using high-resolution spectroscopy.

ABSTRACT: N-heterocyclic carbenes (NHCs) bind very strongly to transition metals due to their unique electronic structure featuring a divalent carbon atom with a lone pair in a highly directional sp²-hybridized orbital. As such, they can be assembled into monolayers on metal surfaces that have enhanced stability compared to their thiol-based counterparts. The utility of NHCs to form such robust self-assembled monolayers (SAMs) was only recently recognized and many fundamental questions remain. Here we investigate the structure and geometry of a series of NHCs on Au(111) using high-resolution X-ray photoelectron spectroscopy and density functional theory calculations. We find that the N-substituents on the NHC ring strongly affect the molecule-metal interaction and steer the orientation of

SUBMITTER: Lovat G 

PROVIDER: S-EPMC6346291 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature