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Dimerization in the pyridone/hydroxypyridine tautomeric systems: relative stabilities of the dimers in the 2-pyridone/2-hydroxypyridine and in the 4-pyridone/4-hydroxypyridine systems

✍ Scribed by Zdeněk Slanina; Andrzej Leś; Ludwik Adamowicz


Book ID
119117331
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
524 KB
Volume
257
Category
Article
ISSN
0166-1280

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On the mechanism of proton transfer in t
✍ Martin J. Scanlan; Ian H. Hillier 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 234 KB

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.