Theoretical study of carbamic acid [1 H-imidazol-2-yl-]methyl ester

The different tautomers and conformers of carbamic acid [1 H-imidazol-2-yl-]methyl ester have been studied by the ab initio MO method at the HF level and the protonation energies of the most stable conformer of each tautomer have been calculated. Some consideration has also been devoted to the chara...

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Bibliographic Details
Published in:Journal of molecular structure. Theochem 1992-07, Vol.259, p.265-272
Main Authors: Manna, Gianfranco La, Ramusino, Marina Cotta, Cignitti, Maurizio
Format: Article
Language:English
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Summary:The different tautomers and conformers of carbamic acid [1 H-imidazol-2-yl-]methyl ester have been studied by the ab initio MO method at the HF level and the protonation energies of the most stable conformer of each tautomer have been calculated. Some consideration has also been devoted to the characterization of the thermal decomposition processes.
ISSN:0166-1280
1872-7999
DOI:10.1016/0166-1280(92)87018-U