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Theoretical study of the mechanism of proton transfer in tautomeric systems: Alloxan

โœ Scribed by Rita Kakkar; Bhupendra K. Sarma; Vandana Katoch


Book ID
110644563
Publisher
Indian Academy of Sciences,Royal Society of Chemistry
Year
2001
Tongue
English
Weight
63 KB
Volume
113
Category
Article
ISSN
0253-4134

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On the mechanism of proton transfer in t
โœ Martin J. Scanlan; Ian H. Hillier ๐Ÿ“‚ Article ๐Ÿ“… 1984 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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.