The Fourier transform microwave spectra of the hydrated forms of the tautomeric pair 2-pyridinone/2-hydroxypyridine (2PO/2HP) has 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 14N 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.
S.Mata, V.Cortijo, W.Caminati, J.L.Alonso, M.E.Sanz, J.C.López, et al. (2010). Tautomerism and Microsolvation in 2-Hydroxypyridine/2-Pyridone. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, 114, 11393-11398 [10.1021/jp104625z].
Tautomerism and Microsolvation in 2-Hydroxypyridine/2-Pyridone
CAMINATI, WALTHER;
2010
Abstract
The Fourier transform microwave spectra of the hydrated forms of the tautomeric pair 2-pyridinone/2-hydroxypyridine (2PO/2HP) has 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 14N 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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
