Metalophilic interaction in gold halide: Quantum chemical study of AuX (X = Fat)

Quantum chemical calculations of the structures, stabilities, and metalophilic interactions of AuX halides (X = FAt) at the CCSD(T) theoretical level with extended basis sets were performed. Natural bond orbital analysis showed that the present gold–halide metalophilic interactions mainly resulted...

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Veröffentlicht in:	Journal of computational chemistry 2014-05, Vol.35 (12), p.923-931
1. Verfasser:	Li, Xinying
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Deformation Density electron density property Energy Gold interaction intermediate type
Online-Zugang:	Volltext
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