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Effect of π-Electron Delocalization on Tautomeric Equilibria – Benzoannulated 2-Phenacylpyridines

✍ Scribed by Ryszard Gawinecki; Erkki Kolehmainen; Hossein Loghmani-Khouzani; Borys Ośmiałowski; Tamás Lovász; Pavel Rosa


Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
135 KB
Volume
2006
Category
Article
ISSN
1434-193X

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## Abstract The tautomerization equilibria of 3‐hydroxy‐2‐mercaptopyridine (HMP) and 2,3‐dihydroxypyridine (DHP) __in vacuo__ and in ethanol solution have been studied using the density functional theory (DFT) at B3LYP/6‐31G(d) level. The results indicate that the thione form of HMP and the keto fo