The saddle point for the proton transfer invohred in the equilibrium 2-hydroxypyridine = 2-pyridone has been calculated in it 3-21G basis to be 206 kJ mol-\* above the hctim form, for a unimo!ecular mechanism. This barrier is estimated to be rc-du=d to 46 kJ mol-l in the self-associated dimer.
✦ LIBER ✦
Tautomeric equilibrium of 2-hydroxypyridine/2-pyridone: does a theoretical—experimental discrepancy exist?
✍ Scribed by Oswald G. Parchment; Neil A. Burton; Ian H. Hiller
- Book ID
- 103030293
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 241 KB
- Volume
- 203
- Category
- Article
- ISSN
- 0009-2614
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