An experimental and theoretical NMR study of NH-benzimidazoles in solution and in the solid state: proton transfer and tautomerism

Nieto Gómez, Carla Isabel . (2014) An experimental and theoretical NMR study of NH-benzimidazoles in solution and in the solid state: proton transfer and tautomerism. Beilstein Journal of Organic Chemistry

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Título An experimental and theoretical NMR study of NH-benzimidazoles in solution and in the solid state: proton transfer and tautomerism
Autor(es) Nieto Gómez, Carla Isabel
Materia(s) Química
Abstract This paper reports the 1H, 13C and 15N NMR experimental study of five benzimidazoles in solution and in the solid state (13C and 15N CPMAS NMR) as well as the theoretically calculated (GIAO/DFT) chemical shifts. We have assigned unambiguously the "tautomeric positions" (C3a/C7a, C4/C7 and C5/C6) of NH-benzimidazoles that, in some solvents and in the solid state, appear different (blocked tautomerism). In the case of 1H-benzimidazole itself we have measured the prototropic rate in HMPA-d18.
Palabras clave CPMAS
DNMR
GIAO
proton transfer
tautomerism
Editor(es) Beilstein-Institut
Fecha 2014
Formato application/pdf
Identificador bibliuned:DptoQOyBO-FCIE-Articulos-Cinieto-0001
http://e-spacio.uned.es/fez/view/bibliuned:DptoQOyBO-FCIE-Articulos-Cinieto-0001
DOI - identifier 10.3762/bjoc.10.168
ISSN - identifier 1860-5397
Nombre de la revista Beilstein Journal of Organic Chemistry
Número de Volumen 10
Página inicial 1620
Página final 1629
Publicado en la Revista Beilstein Journal of Organic Chemistry
Idioma eng
Versión de la publicación publishedVersion
Tipo de recurso Article
Derechos de acceso y licencia http://creativecommons.org/licenses/by/4.0
info:eu-repo/semantics/openAccess
Tipo de acceso Acceso abierto
Notas adicionales The registered version of this article, first published in Beilstein Journal of Organic Chemistry, is available online at the publisher's website: Beilstein-Institut https://doi.org/10.3762/bjoc.10.168
Notas adicionales La versión registrada de este artículo, publicado por primera vez en Beilstein Journal of Organic Chemistry, está disponible en línea en el sitio web del editor: Beilstein-Institut https://doi.org/10.3762/bjoc.10.168

 
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Creado: Wed, 31 Jan 2024, 23:40:15 CET