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On the mechanism of proton transfer in the 2-hydroxypyridine α 2-pyridone tautomeric equilibrium

✍ Scribed by Martin J. Scanlan; Ian H. Hillier

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
234 KB
Volume
107
Category
Article
ISSN
0009-2614

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✦ Synopsis

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.

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