Chiral Au22(SR)17-: a new ligand-binding strategy for structural prediction of thiolate-protected gold nanocluster.

Wen Wu XuDongdong LinJie FuWenhui ZhaoXiang-Mei Duan Xiao Cheng Zeng

Published in: Chemical communications (Cambridge, England) (2020)

A new atomic structure of chiral thiolate-protected gold nanocluster Au22(SR)17- is predicted on the basis of the new ligand-binding strategy, namely, redistributing the Au-S "staple" motifs on the well-known Au10 core from previously laboratory-determined Au21(SR)15 crystal structure. Density functional theory calculations show that this structure is very likely the realistic structure for the synthesized Au22(SR)17-.

Keyphrases

sensitive detection
density functional theory
reduced graphene oxide
crystal structure
molecular dynamics
visible light
gold nanoparticles
capillary electrophoresis
molecular dynamics simulations
electron microscopy