Bond-bending isomerism and metallophilicity in metal–halogen anions (Cu,Ag,Au)(2)X(3)(−), X = F, Cl, Br, I, At

In the framework of DFT (ABINIT package), we have performed atomic relaxations on the (Cu,Ag,Au)(2)X(3)(−), X = F, Cl, Br, I, At anion series. Opposite to linear (MX(2))(−) anions, all (M(2)X(3))(−) systems are triangular (C(2v) symmetry). According to the system, we classified these anions in three...

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Detalles Bibliográficos
Autores principales: Siberchicot, Bruno, Aupiais, Jean
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9979621/
https://www.ncbi.nlm.nih.gov/pubmed/36875882
http://dx.doi.org/10.1039/d2ra07457e
Descripción
Sumario:In the framework of DFT (ABINIT package), we have performed atomic relaxations on the (Cu,Ag,Au)(2)X(3)(−), X = F, Cl, Br, I, At anion series. Opposite to linear (MX(2))(−) anions, all (M(2)X(3))(−) systems are triangular (C(2v) symmetry). According to the system, we classified these anions in three categories according to the relative strength of electronegativity, chemical hardness, metallophilicity and van der Waals interaction. We found two bond-bending isomers: (Au(2)I(3))(−) and (Au(2)At(3))(−).

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