Synthesis and properties of an Au6 cluster supported by a mixed N-heterocyclic carbene-thiolate ligand

Chem Commun (Camb). 2020 Jun 7;56(45):6102-6105. doi: 10.1039/d0cc01482f. Epub 2020 May 1.

Abstract

The preparation of a novel Au6 cluster bearing a bidentate mixed carbene-thiolate ligand is presented. The length of linker between the central benzimidazole and thiolate has a strong effect on the formation of cluster products, with a C2 chain giving an Au6 cluster, while a C3 chain results in no evidence of cluster formation. Density functional theory analysis predicts a non-metallic cluster with a large HOMO-LUMO (3.2-3.6 eV) and optical gap.