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DOI: 10.1039/A706037H (Paper) Reference Section for: J. Chem. Res. (S), 1998, 222-223

Semiempirical and Ab Initio Calculations of Tautomerism in 2,3-Dihydroxypyrazine

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Ahmed M. El-Nahas

Abstract

Semiempirical (AM1 and PM3) and ab initio (MP2/6-31+G*//HF/6-31+G*) calculations on the relative stabilities of different tautomers of 2,3-dihydroxypyrazine show that this species exists not only in solution but also in the gas phase predominantly as a dioxo tautomer.

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