Total Structure of Bimetallic Core–Shell [Au₄₂Cd₄₀(SR)₅₂]²⁻ Nanocluster and Its Implications

Abstract

Bimetallic core–shell nanostructures hold great promise in elucidating the bimetallic synergism. However, it remains a challenge to construct atomically precise core–shell with high‐valence active metals on the gold surface. In this work, we report the total structure of a [Au42Cd40(SR)52]2− core–shell nanocluster and multiple implications. Single crystal X‐ray diffraction (SCXRD) reveals that the structure possesses a two‐shelled Au6@Au36 core and a closed cadmium shell of Cd40, and the core–shell structure is then protected by 52 thiolate (‐SR) ligands. The composition of the nanocluster is further confirmed by electrospray ionization mass spectrometry (ESI‐MS). A catalytic test for styrene oxidation and a comparison with relevant nanoclusters reveal the surface effect on the catalytic activity and selectivity.