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Abstract:

Most of the systems possessing true two-electron three-center interactions are electron deficient compounds like boron hydrids, closo-boranes, and some organic ions such as butonium cations. In this work, we perform a detailed study of the electron distribution for two different types of systems to which likewise interactions has been adjudicated: organometallic CH4-Me+p (p = 1, 2) adducts with Me, alkaline and earth alkaline metallic ions of Li, Na, K, Be, Mg, Ca in their stable gaseous phase and X4H+ (X = P, As) simple clusters. For this purpose, topological analysis of the electron density decomposed into its effectively paired and unpaired contributions has been carried out looking for complex interactions. © 2015 American Chemical Society.

Registro:

Documento: Artículo
Título:Do Organometallic CH4-Me+p Adducts and X4H+ (X = P, As) Clusters Undergo Two-Electron Three-Center Interactions? Some Aspects of Discussion
Autor:Lobayan, R.M.; Bochicchio, R.C.
Filiación:Departamento de Física, Facultad de Ciencias Exactas, Naturales y Agrimensura, Universidad Nacional del NordesteCorrientes 3400, Argentina
Departamento de Física, Universidad de Buenos Aires, Ciudad UniversitariaBuenos Aires 1428, Argentina
Palabras clave:Beryllium; Magnesium; Organometallics; Topology; Earth alkaline; Electron distributions; Electron-deficient compounds; Gaseous phase; Metallic ions; Organic ions; Systems possessing; Topological analysis; Electrons
Año:2015
Volumen:119
Número:27
Página de inicio:7000
Página de fin:7012
DOI: http://dx.doi.org/10.1021/acs.jpca.5b03267
Título revista:Journal of Physical Chemistry A
Título revista abreviado:J Phys Chem A
ISSN:10895639
CODEN:JPCAF
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10895639_v119_n27_p7000_Lobayan

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Citas:

---------- APA ----------
Lobayan, R.M. & Bochicchio, R.C. (2015) . Do Organometallic CH4-Me+p Adducts and X4H+ (X = P, As) Clusters Undergo Two-Electron Three-Center Interactions? Some Aspects of Discussion. Journal of Physical Chemistry A, 119(27), 7000-7012.
http://dx.doi.org/10.1021/acs.jpca.5b03267
---------- CHICAGO ----------
Lobayan, R.M., Bochicchio, R.C. "Do Organometallic CH4-Me+p Adducts and X4H+ (X = P, As) Clusters Undergo Two-Electron Three-Center Interactions? Some Aspects of Discussion" . Journal of Physical Chemistry A 119, no. 27 (2015) : 7000-7012.
http://dx.doi.org/10.1021/acs.jpca.5b03267
---------- MLA ----------
Lobayan, R.M., Bochicchio, R.C. "Do Organometallic CH4-Me+p Adducts and X4H+ (X = P, As) Clusters Undergo Two-Electron Three-Center Interactions? Some Aspects of Discussion" . Journal of Physical Chemistry A, vol. 119, no. 27, 2015, pp. 7000-7012.
http://dx.doi.org/10.1021/acs.jpca.5b03267
---------- VANCOUVER ----------
Lobayan, R.M., Bochicchio, R.C. Do Organometallic CH4-Me+p Adducts and X4H+ (X = P, As) Clusters Undergo Two-Electron Three-Center Interactions? Some Aspects of Discussion. J Phys Chem A. 2015;119(27):7000-7012.
http://dx.doi.org/10.1021/acs.jpca.5b03267