Artículo
Structural and vibrational theoretical analysis of the vanadium oxotrihalides, VOX3 (X=F, Cl, Br, I)
Fecha de publicación:
03/2004
Editorial:
Elsevier Science
Revista:
Journal of Molecular Structure Theochem
ISSN:
0166-1280
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
A structural and vibrational theoretical study of the vanadium oxotrihalides VOX3 (X ¼ F, Cl, Br, I) was performed employing ab initio (RHF) and Density Functional Theory methods. The existing vibrational data for the first three molecules were used together with the theoretical force fields to obtain the corresponding scaled force constants. The spectrum of the still unknown VOI3 was predicted using the experimental and calculated wavenumbers for the lighter molecules. The observed trends in geometrical and vibrational parameters for this series of molecules are discussed.
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Articulos(CCT - NOA SUR)
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - NOA SUR
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - NOA SUR
Articulos(CEQUINOR)
Articulos de CENTRO DE QUIMICA INORGANICA "DR. PEDRO J. AYMONINO"
Articulos de CENTRO DE QUIMICA INORGANICA "DR. PEDRO J. AYMONINO"
Articulos(INQUINOA)
Articulos de INST.DE QUIMICA DEL NOROESTE
Articulos de INST.DE QUIMICA DEL NOROESTE
Citación
Socolsky, Cecilia; Brandán, S. A.; Ben Altabef, Aida; Varetti, Eduardo Lelio; Structural and vibrational theoretical analysis of the vanadium oxotrihalides, VOX3 (X=F, Cl, Br, I); Elsevier Science; Journal of Molecular Structure Theochem; 672; 1-3; 3-2004; 45-50
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