DFT studies on one-electron oxidation and one-electron reduction for 2- and 4-aminopyridines

Quantum-chemical calculations {DFT(B3LYP)/6-311+G(d,p)} were performed for all possible tautomers (aromatic and nonaromatic) of neutral 2- and 4-aminopyridines and their oxidized and reduced forms. One-electron oxidation has no important effect on the tautomeric preference for 2-aminopyridine. The a...

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Detalles Bibliográficos
Autores principales: Raczyńska, Ewa D., Stępniewski, Tomasz M., Kolczyńska, Katarzyna
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer-Verlag 2012
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3429776/
https://www.ncbi.nlm.nih.gov/pubmed/22585356
http://dx.doi.org/10.1007/s00894-012-1446-8

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3429776/
https://www.ncbi.nlm.nih.gov/pubmed/22585356
http://dx.doi.org/10.1007/s00894-012-1446-8

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