Application of grand unified model and ring model in understanding the isomeric structures of Au28(SR)20 nanoclusters

Abstract

We present the application of grand unified model (GUM) and ring model in understanding the isomeric structures of six Au28(SR)20 nanoclusters. In light of GUM, three Au14 cores could be attributed to the different packing modes of four tetrahedral Au4 units. The binding of the protection ligands with three Au14 cores can be guided by the ring model, in which the protection ligands and some gold core atoms can form the rings with different radii. Therefore the structural isomerism of six isomers can be understood by different types of ring structures packing, fusing, or interlocking together.