Asymmetric Twisting of C-Centered Octahedral Gold(I) Clusters by Chiral N-Heterocyclic Carbene Ligation

• DOI: 10.1021/jacs.1c10450
• Publication Date: 2022-01-27T19:14:45Z
• Authors: Xiao-Li Pei; Pei Zhao; Hitoshi Ube; Zhen Lei; Koichi Nagata; Masahiro Ehara; Mitsuhiko Shionoya
• Keywords: Chirality; Axial Chirality

Asymmetric induction of metal clusters by ligation chiral ligands is intriguing in terms the mechanism chirality transfer and stability resulting structure. Here we report asymmetric C-centered hexagold(I) CAuI6 into an asymmetrically twisted structure through monodentate, benzimidazolylidene-based N-heterocyclic carbene (NHC) ligands. X-ray diffraction analysis revealed that NHC-ligated cluster was diastereoselectively with directionally selective, bond length expansion, contraction Au···Au contacts original high symmetry transformed optically pure, C1 symmetry. Moreover, circular dichroism spectroscopy time-dependent density functional theory calculation confirmed maintained even solution. Such configurationally stable would greatly expand molecular design possibilities catalysts chiroptical materials utilizing library NHC