Experimental and Theoretical Evidence for an Agostic Interaction in a Gold(III) Complex
Feriel Rekhroukh
Laboratoire Hétérochimie Fondamentale et Appliquée, Université Paul Sabatier/ CNRS UMR 5069, 118 Route de Narbonne, 31062 Toulouse Cedex 09, France
Search for more papers by this authorDr. Laura Estévez
Institut des Sciences Analytiques et de Physico-Chimie pour l'Environnement et les Matériaux (UMR 5254), Equipe Chimie Physique, Université de Pau et des Pays de l'Adour, Hélioparc, 2 Avenue du Président Angot, 64053 Pau Cedex 09, France
Departamento de Química Física, Universidade de Vigo, Facultade de Química Lagoas-Marcosende s/n, 36310 Vigo, Galicia, Spain
Search for more papers by this authorDr. Christian Bijani
Laboratoire de Chimie de Coordination (CNRS UPR 8241), 205 Route de Narbonne, 31077 Toulouse, France
Search for more papers by this authorCorresponding Author
Dr. Karinne Miqueu
Institut des Sciences Analytiques et de Physico-Chimie pour l'Environnement et les Matériaux (UMR 5254), Equipe Chimie Physique, Université de Pau et des Pays de l'Adour, Hélioparc, 2 Avenue du Président Angot, 64053 Pau Cedex 09, France
Search for more papers by this authorCorresponding Author
Dr. Abderrahmane Amgoune
Laboratoire Hétérochimie Fondamentale et Appliquée, Université Paul Sabatier/ CNRS UMR 5069, 118 Route de Narbonne, 31062 Toulouse Cedex 09, France
Search for more papers by this authorCorresponding Author
Dr. Didier Bourissou
Laboratoire Hétérochimie Fondamentale et Appliquée, Université Paul Sabatier/ CNRS UMR 5069, 118 Route de Narbonne, 31062 Toulouse Cedex 09, France
Search for more papers by this authorFeriel Rekhroukh
Laboratoire Hétérochimie Fondamentale et Appliquée, Université Paul Sabatier/ CNRS UMR 5069, 118 Route de Narbonne, 31062 Toulouse Cedex 09, France
Search for more papers by this authorDr. Laura Estévez
Institut des Sciences Analytiques et de Physico-Chimie pour l'Environnement et les Matériaux (UMR 5254), Equipe Chimie Physique, Université de Pau et des Pays de l'Adour, Hélioparc, 2 Avenue du Président Angot, 64053 Pau Cedex 09, France
Departamento de Química Física, Universidade de Vigo, Facultade de Química Lagoas-Marcosende s/n, 36310 Vigo, Galicia, Spain
Search for more papers by this authorDr. Christian Bijani
Laboratoire de Chimie de Coordination (CNRS UPR 8241), 205 Route de Narbonne, 31077 Toulouse, France
Search for more papers by this authorCorresponding Author
Dr. Karinne Miqueu
Institut des Sciences Analytiques et de Physico-Chimie pour l'Environnement et les Matériaux (UMR 5254), Equipe Chimie Physique, Université de Pau et des Pays de l'Adour, Hélioparc, 2 Avenue du Président Angot, 64053 Pau Cedex 09, France
Search for more papers by this authorCorresponding Author
Dr. Abderrahmane Amgoune
Laboratoire Hétérochimie Fondamentale et Appliquée, Université Paul Sabatier/ CNRS UMR 5069, 118 Route de Narbonne, 31062 Toulouse Cedex 09, France
Search for more papers by this authorCorresponding Author
Dr. Didier Bourissou
Laboratoire Hétérochimie Fondamentale et Appliquée, Université Paul Sabatier/ CNRS UMR 5069, 118 Route de Narbonne, 31062 Toulouse Cedex 09, France
Search for more papers by this authorAbstract
The first agostic interaction in a gold complex is described. The presence of a bonding C−H⋅⋅⋅Au 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).
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