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New insight into the electronic shell of Au(38)(SR)(24): a superatomic molecule.
MedLine Citation:
PMID:  23334777     Owner:  NLM     Status:  Publisher    
Abstract/OtherAbstract:
Based on the recently proposed super valence bond model, in which superatoms can compose superatomic molecules by sharing valence pairs and nuclei for shell closure, the 23c-14e bi-icosahedral Au(23)((+9)) core of Au(38)(SR)(24) is proved to be a superatomic molecule. Molecular orbital analysis reveals that the Au(23)((+9)) core is an exact analogue of the F(2) molecule in electronic configuration. Chemical bonding analysis by the adaptive natural density partitioning method confirms the superatomic molecule bonding framework of Au(38)(SR)(24) in a straightforward manner.
Authors:
Longjiu Cheng; Changda Ren; Xiuzhen Zhang; Jinlong Yang
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2013-1-21
Journal Detail:
Title:  Nanoscale     Volume:  -     ISSN:  2040-3372     ISO Abbreviation:  Nanoscale     Publication Date:  2013 Jan 
Date Detail:
Created Date:  2013-1-21     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101525249     Medline TA:  Nanoscale     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
Affiliation:
School of Chemistry & Chemical Engineering, and High-Performance Computing Center, School of Computer Science and Technology, Anhui University, Hefei, Anhui 230039, P. R. China. clj@ustc.edu.
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