4-Hydroxypyrimidine (4HP) has two conformational forms (the hydroxyl hydrogen cis or trans with respect to the adjacent nitrogen), which are in tautomeric equilibrium with two ketonic forms, 4-Pyrimidinone (4PO) and 6-Pyrimidinone (6PO). We have investigated the free jet absorption millimeterwave spectrum of this system, assigning the rotational spectra of 4HPcis and 4PO; the latter species is more stable by 2.0(9) kJ/mol. No lines corresponding to the trans isomer of 4-hydroxypyridine and to 6PO have been observed.
R. Sanchez, B. M. Giuliano, S. Melandri, L. B. Favero, W. Caminati (2007). Gas-Phase Tautomeric Equilibrium of 4-Hydroxypyrimidine with Its Ketonic Forms: A Free Jet Millimeterwave Spectroscopy Study. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 129, 6287-6290 [10.1021/ja070712q].
Gas-Phase Tautomeric Equilibrium of 4-Hydroxypyrimidine with Its Ketonic Forms: A Free Jet Millimeterwave Spectroscopy Study
GIULIANO, BARBARA MICHELA;MELANDRI, SONIA;CAMINATI, WALTHER
2007
Abstract
4-Hydroxypyrimidine (4HP) has two conformational forms (the hydroxyl hydrogen cis or trans with respect to the adjacent nitrogen), which are in tautomeric equilibrium with two ketonic forms, 4-Pyrimidinone (4PO) and 6-Pyrimidinone (6PO). We have investigated the free jet absorption millimeterwave spectrum of this system, assigning the rotational spectra of 4HPcis and 4PO; the latter species is more stable by 2.0(9) kJ/mol. No lines corresponding to the trans isomer of 4-hydroxypyridine and to 6PO have been observed.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
