Synthesis of a Au-44(SR)(28) nanocluster: structure prediction and evolution from Au-28(SR)(20), Au-36(SR)(24) to Au-44(SR)(28)

We report the synthesis of a Au-44(SR)(28) nanocluster (SR = 4-tert-butylbenzenethiolate). Based on the structural rules learned from the known Au-28(SR)(20) and Au-36(SR)(24) structures, we propose a plausible structure for Au-44(SR)(28), which is predicted to comprise a six-interpenetrating cuboctahedral Au-36 kernel protected by four dimeric staples and sixteen bridging thiolates, i.e. Au-36[Au-2(SR)(3)](4)(SR)(16).