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...

Descripción completa

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
_version_ 1784899760783622144
author Siberchicot, Bruno
Aupiais, Jean
author_facet Siberchicot, Bruno
Aupiais, Jean
author_sort Siberchicot, Bruno
collection PubMed
description 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))(−).
format Online
Article
Text
id pubmed-9979621
institution National Center for Biotechnology Information
language English
publishDate 2023
publisher The Royal Society of Chemistry
record_format MEDLINE/PubMed
spelling pubmed-99796212023-03-03 Bond-bending isomerism and metallophilicity in metal–halogen anions (Cu,Ag,Au)(2)X(3)(−), X = F, Cl, Br, I, At Siberchicot, Bruno Aupiais, Jean RSC Adv Chemistry 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))(−). The Royal Society of Chemistry 2023-03-02 /pmc/articles/PMC9979621/ /pubmed/36875882 http://dx.doi.org/10.1039/d2ra07457e Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Siberchicot, Bruno
Aupiais, Jean
Bond-bending isomerism and metallophilicity in metal–halogen anions (Cu,Ag,Au)(2)X(3)(−), X = F, Cl, Br, I, At
title Bond-bending isomerism and metallophilicity in metal–halogen anions (Cu,Ag,Au)(2)X(3)(−), X = F, Cl, Br, I, At
title_full Bond-bending isomerism and metallophilicity in metal–halogen anions (Cu,Ag,Au)(2)X(3)(−), X = F, Cl, Br, I, At
title_fullStr Bond-bending isomerism and metallophilicity in metal–halogen anions (Cu,Ag,Au)(2)X(3)(−), X = F, Cl, Br, I, At
title_full_unstemmed Bond-bending isomerism and metallophilicity in metal–halogen anions (Cu,Ag,Au)(2)X(3)(−), X = F, Cl, Br, I, At
title_short Bond-bending isomerism and metallophilicity in metal–halogen anions (Cu,Ag,Au)(2)X(3)(−), X = F, Cl, Br, I, At
title_sort bond-bending isomerism and metallophilicity in metal–halogen anions (cu,ag,au)(2)x(3)(−), x = f, cl, br, i, at
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9979621/
https://www.ncbi.nlm.nih.gov/pubmed/36875882
http://dx.doi.org/10.1039/d2ra07457e
work_keys_str_mv AT siberchicotbruno bondbendingisomerismandmetallophilicityinmetalhalogenanionscuagau2x3xfclbriat
AT aupiaisjean bondbendingisomerismandmetallophilicityinmetalhalogenanionscuagau2x3xfclbriat

Ejemplares similares