Tautomerism and microsolvation in 2-hydroxypyridine/2-pyridone |
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Authors: | Mata Santiago Cortijo Vanessa Caminati W Alonso José L Sanz M Eugenia López Juan C Blanco Susana |
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Institution: | Grupo de Espectroscopía Molecular Edificio Quifima, Area de Química Física, Campus Miguel Delibes, Universidad de Valladolid, 47011 Valladolid, Spain. |
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Abstract: | The Fourier transform microwave spectra of the hydrated forms of the tautomeric pair 2-pyridinone/2-hydroxypyridine (2PO/2HP) have been investigated in a supersonic expansion. Three hydrated species, 2PO-H?O, 2HP-H?O, and 2PO-(H?O)?, have been observed in the rotational spectrum. Each molecular complex was confidently identified by the features of the 1?N quadrupole hyperfine structure of the rotational transitions. The presence of water affects the tautomeric equilibrium -N═C(OH)- ? -NH-C(═O)-, which is shifted to the enol form for the bare molecules 2PO/2HP but to the keto tautomer for the hydrated forms. |
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