Synthesis of a Au44(SR)28nanocluster: structure prediction and evolution from Au28(SR)20, Au36(SR)24to Au44(SR)28

Abstract
We report the synthesis of a Au44(SR)28 nanocluster (SR = 4-tert-butylbenzenethiolate). Based on the structural rules learned from the known Au28(SR)20 and Au36(SR)24 structures, we propose a plausible structure for Au44(SR)28, which is predicted to comprise a six-interpenetrating cuboctahedral Au36 kernel protected by four dimeric staples and sixteen bridging thiolates, i.e. Au36[Au2(SR)3]4(SR)16.