Experimental and Theoretical Evidence for an Agostic Interaction in a Gold(III) Complex

被引：59

作者：

Rekhroukh, Feriel ^{[1
]}

Estevez, Laura ^{[2
,3
]}

Bijani, Christian ^{[4
]}

Miqueu, Karinne ^{[2
]}

Amgoune, Abderrahmane ^{[1
]}

Bourissou, Didier ^{[1
]}

机构：

[1] Univ Toulouse 3, CNRS UMR 5069, Lab Heterochim Fondamentale & Appl, 118 Route Narbonne, F-31062 Toulouse 09, France

[2] Univ Pau & Pays Adour, Inst Sci Analyt & Physicochim Environm & Mat UMR, Equipe Chim Phys, Helioparc,2 Ave President Angot, F-64053 Pau 09, France

[3] Univ Vigo, Fac Quim, Dept Quim Fis, Vigo 36310, Galicia, Spain

[4] Lab Chim Coordinat CNRS UPR 8241, 205 Route Narbonne, F-31077 Toulouse, France

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2016年 / 55卷 / 10期

关键词：

agostic interactions; density functional calculations; gold; NMR spectroscopy; organometallic compounds; OXIDATIVE ADDITION; REDUCTIVE ELIMINATION; ALKYL COMPLEXES; AU-H; BOND; GOLD; REACTIVITY; CATALYSTS; HYDROGENATION; ISOMERIZATION;

D O I：

10.1002/anie.201511111

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The first agostic interaction in a gold complex is described. The presence of a bonding C-HAu interaction in a cationic tricoordinate gold(III) complex was suggested by DFT calculations and was subsequently confirmed by NMR spectroscopy at low temperature. The agostic interaction was analyzed computationally using NBO and QTAIM analyses (NBO=natural bond orbital; QTAIM=quantum theory of atoms in molecules).

引用

页码：3414 / 3418

页数：5

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