The rotational spectra of 3-fluoro-benzyl alcohol and of its OD isotopologue have been measured by free jet absorption millimeter wave spectroscopy. The spectrum is consistent with a gauche conformation of the oxygen atom, characterized by a OC-C1C2 dihedral angle of approximately 50°, and with the hydroxyl group zusammen with respect to the F atom. c-type transitions are split into two evenly spaced component lines by  1.64 MHz, showing that the CH2OH group undergoes a tunnelling motion which connects two equivalent minima above and below the aromatic ring. The barrier to inversion has been calculated to be 155 cm-1
Tunnelling splittings in the rotational spectrum of 3-fluoro-benzylalcohol / S.Tang; Z.Xia; A.Maris; W.Caminati. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 498:(2010), pp. 52-55. [10.1016/j.cplett.2010.08.066]
Tunnelling splittings in the rotational spectrum of 3-fluoro-benzylalcohol
MARIS, ASSIMO;CAMINATI, WALTHER
2010
Abstract
The rotational spectra of 3-fluoro-benzyl alcohol and of its OD isotopologue have been measured by free jet absorption millimeter wave spectroscopy. The spectrum is consistent with a gauche conformation of the oxygen atom, characterized by a OC-C1C2 dihedral angle of approximately 50°, and with the hydroxyl group zusammen with respect to the F atom. c-type transitions are split into two evenly spaced component lines by 1.64 MHz, showing that the CH2OH group undergoes a tunnelling motion which connects two equivalent minima above and below the aromatic ring. The barrier to inversion has been calculated to be 155 cm-1I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
