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

Pekka Pyykkö, Wolfgang Schneider, Andreas Bauer, Angela Bayler, Hubert Schmidbaur

Research output: Contribution to journalArticlepeer-review

58 Scopus citations

Abstract

Pseudopotential ab initio calculations on dimers and tetramers of formula {[(H3P)2Au]+[AuCl2]-}n (n = 1, 2) which are the products of a ligand distribution of systems (H3PAuCl)2n, show that the different experimentally observed structures are actually energetically quite comparable.

Original languageEnglish
Pages (from-to)1111-1112
Number of pages2
JournalChemical Communications
Issue number12
DOIs
StatePublished - 1997
Externally publishedYes

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