New Structure Model of Au22(SR)18: Bitetrahederon Golden Kernel Enclosed by [Au6(SR)6] Au(I) Complex

作者：Pei, Yong^*; Tang, Jian; Tang, Xianqiong; Huang, Yunqing; Zeng, Xiao Cheng

来源：Journal of Physical Chemistry Letters, 2015, 6(8): 1390-1395.

DOI：10.1021/acs.jpclett.5b00364

• THIOLATE-PROTECTED AU-38
• CRYSTAL-STRUCTURE
• ELECTRONIC-PROPERTIES
• EVOLUTION
• CLUSTERS
• NANOPARTICLE
• NANOCLUSTER
• PREDICTION

The study of atomic structure of thiolate-protected gold with decreased core size is important to explore the structural evolution from Au(I) complex to Au nanoclusters. In this work, we theoretically predicted the structure of recently synthesized four valence electron (4e) Au-22(SR)(18) cluster. The Au-22(SR)(18) cluster is proposed to possess a bitetrahedron Au-7 kernel that is surrounded by a unique [Au-6(SR)(6)] Au(I) complex and three Au-3(SR)(4) staple motifs. More interestingly, the Au-22(SR)(18) exhibits structural connections with Au-24(SR)(20) and Au-20(SR)(16). The stability of Au-22(SR)(18) can be understood from the superatom electronic configuration of the Au kernel as well as the formation of superatomic network. The present study can offer new insight into the structural evolution as well as electronic structure of thiolate-protected Au nanoclusters.

• 出版日期2015-4-16
• 单位湘潭大学