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

Abstract

Herein we report the first chiral Au 10 nanoclusters stabilized by chiral bis N-heterocyclic carbene (bisNHC) ligands. ESI-MS and single-crystal X-ray crystallography confirmed the molecular formula to be [Au 10 (bisNHC) 4 Br 2 ](O 2 CCF 3 ) 2 . The chiral Au 10 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 Au 10 nanocluster. CD spectra demonstrate chirality transfer from the chiral bisNHC ligand to the inner Au 10 nanocluster core. Examination of ESI-MS and UV− vis spectra show that cluster [Au 9 (bisNHC) 4 Br]Br 2 is formed initially and then transformed into the Au 10 nanocluster in solution.

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