Original scientific paper

Picture of Bonding in Protonated Phosphorus and Arsenic Clusters. Detection of 3-Center Bonds from the Generalized Population Analysis

Roberto Bochicchio ; Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria 1428, Buenos Aires, Argentina
Luis Lain ; Departamento de Quimica Fisica, Facultad de Ciencias, Universidad del Pais Vasco, Apdo. 644 E-48080 Bilbao, Spain
Alicia Torre ; Departamento de Quimica Fisica, Facultad de Ciencias, Universidad del Pais Vasco, Apdo. 644 E-48080 Bilbao, Spain
Robert Ponec ; Institute of Chemical Process Fundamentals, Czech Academy of Sciences, Prague 6- Suchdol, Czech Repuhlic

Abstract

In this report we provide a theoretical support for the existence of nonclassical 3-center bonding recently invoked to explain the structure of protonated phosphorus and arsenic X₄H+ clusters.For this purpose the electron structure of these clusters was analysed using the formalism of the generalized population analysis, in terms of which the eventual presence of multicenter bonds in a mo-lecule can be directly detected and localized. Our results confirm the presence of 3-center bonding involving X−H−X fragments in these clusters.

Keywords

phosphorus clusters; arsenic clusters; 3-center bonding

Hrčak ID:

131986

URI

https://hrcak.srce.hr/131986

Publication date:

4.12.2000.

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