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

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

doi:10.1039/a608428a

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

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

Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung

59 Zitate (Scopus)

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.

Originalsprache	Englisch
Seiten (von - bis)	1111-1112
Seitenumfang	2
Fachzeitschrift	Chemical Communications
Ausgabenummer	12
DOIs	https://doi.org/10.1039/a608428a
Publikationsstatus	Veröffentlicht - 1997
Extern publiziert	Ja

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10.1039/a608428a

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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.",

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AU - Schmidbaur, Hubert

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AB - 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.

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