Semiempirical Calculation of the Rotational Barrier and Valence Force Constants in Fluorocarbonylsulfenyl Chloride

The rotational barrier about the C - S bond in fluorocarbonylsulfenyl chloride [FC(0)SC1] is investigated using the CNDO method. The results confirm the existence of planar eis and trans conformers and the higher stability of the latter, as suggested by previous vibrational results. The valence for...

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Autores principales: Jubert, Alicia Haydeé, Della Védova, Carlos Omar, Varetti, Eduardo Lelio, Piro, Oscar Enrique, Aymonino, Pedro José
Formato: Articulo
Lenguaje:Inglés
Publicado: 1983
Materias:
Química
Rotational barrier
Fluorocarbonylsulfenyl Chloride
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/120329
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-120329
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Química
Rotational barrier
Fluorocarbonylsulfenyl Chloride
spellingShingle Química
Rotational barrier
Fluorocarbonylsulfenyl Chloride
Jubert, Alicia Haydeé
Della Védova, Carlos Omar
Varetti, Eduardo Lelio
Piro, Oscar Enrique
Aymonino, Pedro José
Semiempirical Calculation of the Rotational Barrier and Valence Force Constants in Fluorocarbonylsulfenyl Chloride
topic_facet Química
Rotational barrier
Fluorocarbonylsulfenyl Chloride
description The rotational barrier about the C - S bond in fluorocarbonylsulfenyl chloride [FC(0)SC1] is investigated using the CNDO method. The results confirm the existence of planar eis and trans conformers and the higher stability of the latter, as suggested by previous vibrational results. The valence force constants in FC(0)SC1 were also calculated and the values obtained compare favourably with results from a previous normal coordinate calculation and with those of related compounds.
format Articulo
Articulo
author Jubert, Alicia Haydeé
Della Védova, Carlos Omar
Varetti, Eduardo Lelio
Piro, Oscar Enrique
Aymonino, Pedro José
author_facet Jubert, Alicia Haydeé
Della Védova, Carlos Omar
Varetti, Eduardo Lelio
Piro, Oscar Enrique
Aymonino, Pedro José
author_sort Jubert, Alicia Haydeé
title Semiempirical Calculation of the Rotational Barrier and Valence Force Constants in Fluorocarbonylsulfenyl Chloride
title_short Semiempirical Calculation of the Rotational Barrier and Valence Force Constants in Fluorocarbonylsulfenyl Chloride
title_full Semiempirical Calculation of the Rotational Barrier and Valence Force Constants in Fluorocarbonylsulfenyl Chloride
title_fullStr Semiempirical Calculation of the Rotational Barrier and Valence Force Constants in Fluorocarbonylsulfenyl Chloride
title_full_unstemmed Semiempirical Calculation of the Rotational Barrier and Valence Force Constants in Fluorocarbonylsulfenyl Chloride
title_sort semiempirical calculation of the rotational barrier and valence force constants in fluorocarbonylsulfenyl chloride
publishDate 1983
url http://sedici.unlp.edu.ar/handle/10915/120329
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