Chemical Bonding and σ-Aromaticity in Charged Molecular Alloys: [Pd2As14]4− and [Au2Sb14]4− Clusters

Abstract We report a computational study on the structures and bonding of a charged molecular alloy D 2h [Pd2As14]4− (1), as well as a model D 2h [Au2Sb14]4− (2) cluster. Our effort makes use of an array of quantum chemistry tools: canonical molecular orbital analysis, adaptive natural density parti...

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Autores principales: Xue-Rui You, Lin-Yan Feng, Rui Li, Hua-Jin Zhai
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2017
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Acceso en línea:https://doaj.org/article/36230522e84f4fa39c50ea06164f733a
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