Crystal structure of Au₂₅(SePh)₁₈ nanoclusters and insights into their electronic, optical and catalytic properties

The crystal structure of selenolate-capped Au25(SePh)18(-) nanoclusters has been unambiguously determined for the first time, and provides a solid basis for a deeper understanding of the structure-property relationships. The selenolate-capped Au25 cluster shows noticeable differences from the previo...

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Bibliographic Details
Published in:Nanoscale 2014-11, Vol.6 (22), p.13977-13985
Main Authors: Song, Yongbo, Zhong, Juan, Yang, Sha, Wang, Shuxin, Cao, Tiantian, Zhang, Jun, Li, Peng, Hu, Daqiao, Pei, Yong, Zhu, Manzhou
Format: Article
Language:English
Online Access:Get full text
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Summary:The crystal structure of selenolate-capped Au25(SePh)18(-) nanoclusters has been unambiguously determined for the first time, and provides a solid basis for a deeper understanding of the structure-property relationships. The selenolate-capped Au25 cluster shows noticeable differences from the previously reported Au25(SCH2CH2Ph)18(-) counterpart, albeit both share the icosahedral Au13 core and semi-ring Au2(SeR)3 or Au2(SR)3 motifs. Distinct differences in the electronic structure and optical, catalytic and electrochemical properties are revealed by the coupling experiments with density functional theory (TD-DFT) calculations. Overall, the successful determination of the Au25(SePh)18(-) structure removes any ambiguity about its structure, and comparison with the thiolated Au25 counterpart helps us to further understand how the ligands affect the properties of the nanocluster.
ISSN:2040-3372
DOI:10.1039/c4nr04631e