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

Mostrar todas las versiones(2)

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 X 4 H + clusters.For this purpose the electron structure of these clusters was analysed using the formalism of the general...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Bochicchio, R., Lain, L., Torre, A., Ponec, R.
Formato:	JOUR
Materias:	3-center bonding Arsenic clusters Phosphorus clusters
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_00111643_v73_n4_p1039_Bochicchio
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	todo:paper_00111643_v73_n4_p1039_Bochicchio
record_format	dspace
spelling	todo:paper_00111643_v73_n4_p1039_Bochicchio2023-10-03T14:09:34Z Picture of Bonding in Protonated Phosphorus and Arsenic Clusters. Detection of 3-Center Bonds from the Generalized Population Analysis Bochicchio, R. Lain, L. Torre, A. Ponec, R. 3-center bonding Arsenic clusters Phosphorus clusters 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 X 4 H + 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 molecule can be directly detected and localized. Our results confirm the presence of 3-center bonding involving X-H-X fragments in these clusters. Fil:Bochicchio, R. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_00111643_v73_n4_p1039_Bochicchio
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	3-center bonding Arsenic clusters Phosphorus clusters
spellingShingle	3-center bonding Arsenic clusters Phosphorus clusters Bochicchio, R. Lain, L. Torre, A. Ponec, R. Picture of Bonding in Protonated Phosphorus and Arsenic Clusters. Detection of 3-Center Bonds from the Generalized Population Analysis
topic_facet	3-center bonding Arsenic clusters Phosphorus clusters
description	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 X 4 H + 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 molecule can be directly detected and localized. Our results confirm the presence of 3-center bonding involving X-H-X fragments in these clusters.
format	JOUR
author	Bochicchio, R. Lain, L. Torre, A. Ponec, R.
author_facet	Bochicchio, R. Lain, L. Torre, A. Ponec, R.
author_sort	Bochicchio, R.
title	Picture of Bonding in Protonated Phosphorus and Arsenic Clusters. Detection of 3-Center Bonds from the Generalized Population Analysis
title_short	Picture of Bonding in Protonated Phosphorus and Arsenic Clusters. Detection of 3-Center Bonds from the Generalized Population Analysis
title_full	Picture of Bonding in Protonated Phosphorus and Arsenic Clusters. Detection of 3-Center Bonds from the Generalized Population Analysis
title_fullStr	Picture of Bonding in Protonated Phosphorus and Arsenic Clusters. Detection of 3-Center Bonds from the Generalized Population Analysis
title_full_unstemmed	Picture of Bonding in Protonated Phosphorus and Arsenic Clusters. Detection of 3-Center Bonds from the Generalized Population Analysis
title_sort	picture of bonding in protonated phosphorus and arsenic clusters. detection of 3-center bonds from the generalized population analysis
url	http://hdl.handle.net/20.500.12110/paper_00111643_v73_n4_p1039_Bochicchio
work_keys_str_mv	AT bochicchior pictureofbondinginprotonatedphosphorusandarsenicclustersdetectionof3centerbondsfromthegeneralizedpopulationanalysis AT lainl pictureofbondinginprotonatedphosphorusandarsenicclustersdetectionof3centerbondsfromthegeneralizedpopulationanalysis AT torrea pictureofbondinginprotonatedphosphorusandarsenicclustersdetectionof3centerbondsfromthegeneralizedpopulationanalysis AT ponecr pictureofbondinginprotonatedphosphorusandarsenicclustersdetectionof3centerbondsfromthegeneralizedpopulationanalysis
_version_	1807314461262872576

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

Ejemplares similares