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Investigation of the tautomeric equilibrium of 5-aminophenol--naphthol-2

โœ Scribed by Yu. M. Dedkov; A. V. Kotov

Book ID
112438086
Publisher
Springer
Year
1969
Tongue
English
Weight
123 KB
Volume
18
Category
Article
ISSN
1573-9171

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โœ J.Guillermo Contreras; Joel B. Alderete ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 333 KB

Ab initio SCRF calculations have been carried out for the prototropic tautomerism of 2-thiopyrimidine (2TP) in gas phase and in solution. In the gas phase the thiol tautomer is the more stable species in keeping with the reported IR spectra in isolated matrices. In polar solvents the thione tautomer