H-bonded N-heterocyclic base-pair phototautomerizational potential barrier and mechanism: The 7-azaindole dimer

A theoretical analysis of the double proton transfer (PT) in a hydrogen-bonded N-heterocyclic base pair is presented. The calculated (time-dependent density functional theory) double PT barrier calculated for the concerted process of the 7-azaindole C(2h) dimer in the first excited singlet electroni...

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Detalles Bibliográficos

Publicado en:	Proc Natl Acad Sci U S A
Principais autores:	Catalán, J., Pérez, P., del Valle, J. C., de Paz, J. L. G., Kasha, M.
Formato:	Artigo
Idioma:	Inglês
Publicado:	National Academy of Sciences 2003
Assuntos:	Physical Sciences
Acceso en liña:	https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC327162/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/14701906/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.0306721101
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