Synthesis and crystallization of a carboxylate functionalized N-heterocyclic carbene-based Au₁₃ cluster with strong photo-luminescence.

ABSTRACT: Here we report the synthesis and crystallization of a -COOH-capped N-heterocyclic carbene (NHC)-protected Au₁₃ cluster. The single-crystal structure of the -COOH-capped NHC-Au₁₃ cluster reveals a classic icosahedral core with one Au atom in its center. The icosahedral core is surrounded by five NHC ligands with pseudo C5 symmetry and exposed carboxyls in a pentagonal antiprism fashion. The detailed formula of the Au cluster was identified as Au₁₃(bi-NHC carboxyl)₅Cl₂ (hereafter abbreviated as Au₁₃-c). The density functional theory (DFT) calculations confirm that Au₁₃-c is an electronically stable eight-electron super-atom cluster and elucidate its optical transitions in the UV-Vis range. The Au₁₃

SUBMITTER: Yuan X 

PROVIDER: S-EPMC11403932 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature