The rotational spectra of 2,5-difluorobenzyl alcohol and of its OD isotopologue have been assigned and measured in a supersonic expansion by Fourier transform microwave spectroscopy. The hydroxyl oxygen is gauche (with a dihedral angle of 65.) with respect to the ring, but tilted towards the F atom in ortho (position 2) rather than towards the F atom in meta (position 5). The hydroxyl hydrogen points towards the 2-F atom, in such a way to form a OHF hydrogen bridge. No tunnelling effects due to the two equivalent configurations with the OH group above and below the aromatic ring have been observed.
L. Evangelisti, G. Feng, Q. Gou, W. Caminati (2012). Rotational spectrum of 2,5-difluorobenzyl alcohol. JOURNAL OF MOLECULAR STRUCTURE, 1023, 15-17 [10.1016/j.molstruc.2012.01.004].
Rotational spectrum of 2,5-difluorobenzyl alcohol
EVANGELISTI, LUCA;FENG, GANG;GOU, QIAN;CAMINATI, WALTHER
2012
Abstract
The rotational spectra of 2,5-difluorobenzyl alcohol and of its OD isotopologue have been assigned and measured in a supersonic expansion by Fourier transform microwave spectroscopy. The hydroxyl oxygen is gauche (with a dihedral angle of 65.) with respect to the ring, but tilted towards the F atom in ortho (position 2) rather than towards the F atom in meta (position 5). The hydroxyl hydrogen points towards the 2-F atom, in such a way to form a OHF hydrogen bridge. No tunnelling effects due to the two equivalent configurations with the OH group above and below the aromatic ring have been observed.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
