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Title: Far-infrared VRT spectroscopy of the water dimer: Characterization of the 20 μm out-of-plane librational vibration

We report the first high-resolution spectra for the out-of-plane librational vibration in the water dimer. Three vibrational subbands comprising a total of 188 transitions have been measured by diode laser spectroscopy near 500 cm{sup −1} and assigned to (H{sub 2}O){sub 2} libration-rotation-tunneling eigenstates. The band origin for the K{sub a} = 1 subband is ~524 cm{sup −1}. Librational excitation increases the interchange and bifurcation hydrogen bond rearrangement tunneling splittings by factors of 3-5 and 4-40, respectively. Analysis of the rotational constants obtained from a nonlinear least squares fit indicates that additional external perturbations to the energy levels are likely.
Authors:
; ; ;  [1] ;  [2]
  1. Department of Chemistry, University of California, Berkeley, California 94705 (United States)
  2. Institut Charles Gerhardt UMR5253 CC15.01, CNRS and Universite Montpellier, 34095, Montpellier, Cedex 05 (France)
Publication Date:
OSTI Identifier:
22493131
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 15; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; DIMERS; DISTURBANCES; EIGENSTATES; ENERGY LEVELS; EXCITATION; HYDROGEN; LASER SPECTROSCOPY; LEAST SQUARE FIT; PERTURBATION THEORY; ROTATION; SPECTRA; TUNNEL EFFECT; TUNNELING; WATER