A New Crystal Structure of Au₃₆ with a Au₁₄ Kernel Cocapped by Thiolate and Chloride

This study presents a new crystal structure of a gold nanocluster coprotected by thiolate and chloride, with the formula of Au₃₆(SCH₂Ph-^tBu)₈Cl₂₀. This nanocluster is composed of a Au₁₄ core with two Cl atoms, a pair of pentameric Au₅(SCl₅) staple motifs, and a pair of hexameric Au₆(S₃Cl₄) motifs. It is noteworthy that the “Au–Cl–Au” staple motifs are observed for the first time in thiolate protected gold nanoclusters. More importantly, the formation of the Cl–Au₃ motifs is found to be mainly responsible for the configuration of the gold nanocluster. This work will offer a new perspective to understand how the ligands affect the crystal structure of gold nanocluster