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Journal Article

Photoinduced Gold(I)–Gold(I) Chemical Bonding in Dicyanoaurate Oligomers

MPS-Authors
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Cui,  Ganglong
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Chemistry College, Beijing Normal University;

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Thiel,  Walter
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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anie_201305487_sm_miscellaneous_information.pdf
(Supplementary material), 2MB

Citation

Cui, G., Cao, X.-Y., Fang, W.-H., Dolg, M., & Thiel, W. (2013). Photoinduced Gold(I)–Gold(I) Chemical Bonding in Dicyanoaurate Oligomers. Angewandte Chemie International Edition, 52(39), 10281-10285. doi:10.1002/anie.201305487.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0014-C93E-2
Abstract
Not only σ*σ but also σ*π: High-level electronic structure calculations reveal the σ*σ and σ*π bonding patterns for AuI–AuI 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.