ISSN:
1432-2234
Keywords:
Key words: Gold – Boron – Closed-shell attraction – Pseudopotentials – Second-order Møller – Plesset perturbation theory
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract. Pseudopotential ab initio calculations were performed for species of the type BH n (AuPH3) m k , where n+m=3 or 4, and the charge k is −2,…,+1. Some derivatives of these and diaurated diboranes were also studied. The structural data agree well with the available experimental evidence. Factors affecting the stability of these systems, including the role of aurophilic attraction, are discussed. The singly charged anions and the diaurated diboranes are predicted to be the most stable members of these series.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/s002149900063
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