Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 114, Issue 43, Pages 11393-11398Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp104625z
Keywords
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Funding
- Ministerio de Educacion y Ciencia (MEC) [CTQ2006-05981/BQU, CSD2009-00038]
- Junta de Castilla y Leon [VA070A08]
- Ministerio de Educacion y Ciencia
- Spanish Government
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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-H2O, 2HP-H2O, and 2PO-(H2O)(2), have been observed in the rotational spectrum. Each molecular complex was confidently identified by the features of the N-14 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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