Synthesis and Characterization of Enantiopure Chiral Bis NHC-Stabilized Edge-Shared Au₁₀ Nanocluster with Unique Prolate Shape

Abstract

Herein we report the first chiral Au₁₀ nanoclusters stabilized by chiral bis N-heterocyclic carbene (bisNHC) ligands. ESI-MS and single-crystal X-ray crystallography confirmed the molecular formula to be [Au₁₀(bisNHC)₄Br₂](O₂CCF₃)₂. The chiral Au₁₀ nanocluster adopts a linear edge-shared tetrahedral geometry with a prolate shape. DFT calculations provide insight into the electronic structure, optical absorption, and circular dichroism (CD) characteristics of this unique Au₁₀ nanocluster. CD spectra demonstrate chirality transfer from the chiral bisNHC ligand to the inner Au₁₀ nanocluster core. Examination of ESI-MS and UV-vis spectra show that cluster [Au₉(bisNHC)₄Br]Br₂ is formed initially and then transformed into the Au₁₀ nanocluster in solution.