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Substituent and temperature controlled tautomerism of 2-phenacylpyridine: the hydrogen bond as a configurational lock of (Z )-2-(2-hydroxy-2-phenylvinyl)pyridine

✍ Scribed by Kolehmainen, Erkki; Ośmiałowski, Borys; Nissinen, Maija; Kauppinen, Reijo; Gawinecki, Ryszard

Book ID
120220341
Publisher
Royal Society of Chemistry
Year
2000
Tongue
English
Weight
181 KB
Volume
11
Category
Article
ISSN
1472-779X

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GIAO/DFT calculated chemical shifts of t
GIAO/DFT calculated chemical shifts of tautomeric species. 2-Phenacylpyridines and (Z)-2-(2-hydroxy-2-phenylvinyl)pyridines
✍ Borys Ośmiałowski; Erkki Kolehmainen; Ryszard Gawinecki 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 115 KB

## Abstract ^1^H, ^13^C and ^15^N NMR chemical shifts for 28 substituted 2‐phenacylpyridines (ketimine forms) and their enolimine tautomers, (__Z__)‐2‐(2‐hydroxy‐2‐phenylvinyl)pyridines, were calculated via the GIAO/DFT approach. Among four tested methods at the B3LYP level of theory, the 6–311G, 6