On the mechanism of proton transfer in t
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Martin J. Scanlan; Ian H. Hillier
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Article
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1984
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Elsevier Science
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English
β 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.