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Photoinduced Gold(I)–Gold(I) Chemical Bonding in Dicyanoaurate Oligomers
Author(s) -
Cui Ganglong,
Cao XiaoYan,
Fang WeiHai,
Dolg Michael,
Thiel Walter
Publication year - 2013
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201305487
Subject(s) - excited state , relaxation (psychology) , aqueous solution , electronic structure , gold compounds , excited electronic state , materials science , chemical physics , photochemistry , crystallography , chemical bond , chemistry , computational chemistry , atomic physics , combinatorial chemistry , organic chemistry , physics , psychology , social psychology
Not only σ*σ but also σ*π : High‐level electronic structure calculations reveal the σ*σ and σ*π bonding patterns for Au I –Au I bonding in excited states and suggest two conformation‐dependent photophysical relaxation mechanisms for dicyanoaurate oligomers ( n =2–5; see picture) in aqueous solution. These insights into the excited‐state electronic structure should also be relevant for other gold complexes with a similar gold scaffold.