Issue 12, 1997

An ab initio study of the aggregation of LAuX molecules and [LAuL]+[XAuX]- ions

Abstract

Pseudopotential ab initio calculations on dimers and tetramers of formula {[(H 3 P) 2 Au] + [AuCl 2 ] - } n (n = 1, 2) which are the products of a ligand distribution of systems (H 3 PAuCl) 2n , show that the different experimentally observed structures are actually energetically quite comparable.

Article information

Article type
Paper

Chem. Commun., 1997, 1111-1112

An ab initio study of the aggregation of LAuX molecules and [LAuL]+[XAuX]- ions

P. Pyykkö, W. Schneider, A. Bauer, A. Bayler and H. Schmidbaur, Chem. Commun., 1997, 1111 DOI: 10.1039/A608428A

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