6533b82dfe1ef96bd1291c06

RESEARCH PRODUCT

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

Masakazu NamboMaryam Sabooni Asre HazerHannu HäkkinenAlex J. VeinotPaul A. LummisRenee W. Y. ManWenxia ZhouCathleen M. CruddenCathleen M. CruddenKirsi SalorinneSami MalolaJacky C.-h. Yim

subject

BenzimidazoleDenticity010405 organic chemistryLigandMetals and AlloysGeneral Chemistry010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialschemistry.chemical_compoundCrystallographychemistryChain (algebraic topology)Materials ChemistryCeramics and CompositesCluster (physics)Density functional theoryCarbeneLinker

description

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.

https://doi.org/10.1039/d0cc01482f