The rotational spectra of normal and O-d species of the two most stable conformers of chiral 1-phenyl-1-propanol, obtained by free jet millimeter-wave absorption spectroscopy reveal that both conformers are stabilized by a O-H interaction, and have the C-C-bond oriented nearly perpendicular to the plane of the benzene ring. The methyl group is trans with respect to the phenyl group for the most stable conformer (T), while it is gauche with respect to the phenyl group and entgegen with respect to the hydroxyl group for the second most stable conformer (GE). The energy difference (EGE-ET) was estimated to be 50(50) cm-1 from relative intensity measurements.
B. M. Giuliano, P. Ottaviani, L. B. Favero, W. Caminati, J.-U. Grabow, A. Giardini, et al. (2007). Conformational preferences of chiral molecules: free jet rotational spectrum of 1-phenyl-1-propanol. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 9, 4460-4464 [10.1039/b705114j].
Conformational preferences of chiral molecules: free jet rotational spectrum of 1-phenyl-1-propanol
GIULIANO, BARBARA MICHELA;OTTAVIANI, PAOLO;CAMINATI, WALTHER;
2007
Abstract
The rotational spectra of normal and O-d species of the two most stable conformers of chiral 1-phenyl-1-propanol, obtained by free jet millimeter-wave absorption spectroscopy reveal that both conformers are stabilized by a O-H interaction, and have the C-C-bond oriented nearly perpendicular to the plane of the benzene ring. The methyl group is trans with respect to the phenyl group for the most stable conformer (T), while it is gauche with respect to the phenyl group and entgegen with respect to the hydroxyl group for the second most stable conformer (GE). The energy difference (EGE-ET) was estimated to be 50(50) cm-1 from relative intensity measurements.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
