TORSIONAL SPLITTING OF THE INTERMOLECULAR VIBRATIONS OF PHENOL (H2O)(1) AND ITS DEUTERATED ISOTOPOMERS

Citation
M. Schmitt et al., TORSIONAL SPLITTING OF THE INTERMOLECULAR VIBRATIONS OF PHENOL (H2O)(1) AND ITS DEUTERATED ISOTOPOMERS, The Journal of chemical physics, 108(11), 1998, pp. 4486-4495
Citations number
39
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
108
Issue
11
Year of publication
1998
Pages
4486 - 4495
Database
ISI
SICI code
0021-9606(1998)108:11<4486:TSOTIV>2.0.ZU;2-G
Abstract
The intermolecular vibrations of phenol-water and their tunneling (tor sional) splittings have been assigned in the S-1 state by mass resolve d spectral hole burning. The abundance of transitions in the low frequ ency region of the spectra can be traced back to torsional tunneling o f the water moiety, which splits all vibronic levels, Especially the i n plane wag vibration beta(2) exhibits a large splitting which points to a strong coupling with the H2O torsion tau and a substantial loweri ng of the effective torsional barrier after beta(2) excitation. Based on the discrimination of different isotopomers and their isomers and o f the torsional sublevels a reassignment of some intermolecular transi tions could be given. (C) 1998 American Institute of Physics.