Synthesis and properties of an Au6 cluster supported by a mixed N-heterocyclic carbene–thiolate ligand†
Renee W. Y.
Man, 
a
Paul A.
Lummis,
b
Jacky C.-H.
Yim,
a
Alex J.
Veinot,
b
Hannu
Häkkinen,
*c
Masakazu
Nambo
*a
and
Cathleen M.
Crudden
*ab
a
Paul A.
Lummis,
b
Jacky C.-H.
Yim,
a
Alex J.
Veinot,
b
Hannu
Häkkinen,
*c
Masakazu
Nambo
*a
and
Cathleen M.
Crudden
*ab
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.
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