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Instability of 2,2-di(pyridin-2-yl)acetic acid. Tautomerization versus decarboxylation
The DFT calculations at the B3LYP level with 6-311G** basis set were carried out in order to reveal whether tautomerization or decarboxylation is responsible for the instability of 2,2-di(pyridin-2-yl)acetic (DPA) and 1,8-diazafluorene-9-carboxylic (DAF) acids. The carboxyl protons in both compounds...
Autores principales: | , , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
Springer-Verlag
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3076561/ https://www.ncbi.nlm.nih.gov/pubmed/20593212 http://dx.doi.org/10.1007/s00894-010-0780-y |