The enigma of Au 21 (SC 2 H 4 Ph) 14 nanocluster: a synthetic challenge

Nanotechnology Reviews

article

Katla Sai Krishna¹  Ming He³  David A. Bruce³  Challa S.S.R. Kumar¹ 

[1] Center for Advanced Microstructures and Devices, Louisiana State University;Center for Atomic-Level Catalyst Design, Cain Department of Chemical Engineering, Louisiana State University, 110 Chemical Engineering;Department of Chemical and Biomolecular Engineering, Clemson University

关键词: atomically precise clusters;    DFT calculations;    gold nanoclusters;   

DOI  :  10.1515/ntrev-2013-0038

学科分类：社会科学、人文和艺术（综合）

来源: De Gruyter

【 摘 要 】

Recent investigations into atomically precise gold clusters show that not all magic-numbered clusters can be readily obtained through conventional synthetic routes. For example, Au 21 (SR) 14 , a magic-numbered cluster, was only obtained as a minor product from a mixture of clusters but was never synthesized in pure form using a single-step synthetic approach. We have made several attempts, albeit without any success, using a variety of approaches to synthesize Au 21 (SR) 14 clusters in a single step. We show in this communication that synthetic failure is not likely due to electronic instabilities based on computational investigation of its electronic structure. Our DFT calculations show that the optimized cluster consists of a center Au 13 core cluster capped by two Au 2 (SCH 2 CH 3 ) 3 fragments and four Au(SCH 2 CH 3 ) 2 fragments and is energetically stable. The findings reported here should give more confidence for the synthetic chemists to successfully synthesize Au 21 (SR) 14 in the near future.

【 授权许可】

CC BY