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

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dc.contributor.authorNieto Gómez, Carla Isabel
dc.date.accessioned2024-05-20T11:58:25Z
dc.date.available2024-05-20T11:58:25Z
dc.date.issued2014
dc.description.abstractThis 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.en
dc.description.versionversión publicada
dc.identifier.doi10.3762/bjoc.10.168
dc.identifier.issn1860-5397
dc.identifier.urihttps://hdl.handle.net/20.500.14468/12774
dc.journal.titleBeilstein Journal of Organic Chemistry
dc.journal.volume10
dc.language.isoen
dc.publisherBeilstein-Institut
dc.relation.centerFacultad de Ciencias
dc.relation.departmentQuímica Orgánica y Bio-Orgánica
dc.rightsAtribución 4.0 Internacional
dc.rightsinfo:eu-repo/semantics/openAccess
dc.rights.urihttp://creativecommons.org/licenses/by/4.0
dc.subject.keywordsCPMAS
dc.subject.keywordsDNMR
dc.subject.keywordsGIAO
dc.subject.keywordsproton transfer
dc.subject.keywordstautomerism
dc.titleAn experimental and theoretical NMR study of NH-benzimidazoles in solution and in the solid state: proton transfer and tautomerismes
dc.typeartículoes
dc.typejournal articleen
dspace.entity.typePublication
relation.isAuthorOfPublicationc6f94a2a-9f54-48f9-a6f1-3115b17b098d
relation.isAuthorOfPublication.latestForDiscoveryc6f94a2a-9f54-48f9-a6f1-3115b17b098d
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