The dipole moment of water. II. Analysis of the vibrational dependence of the dipole moment in terms of a dipole moment function

Journal Article · Wed May 01 04:00:00 EDT 1991 · Journal of Chemical Physics; (USA)

DOI:https://doi.org/10.1063/1.460472· OSTI ID:5838199

Shostak, S L; Muenter, J S ^[1]

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1. Department of Chemistry, University of Rochester, Rochester, New York 14627 (US)

The electric dipole moment measurements on H{sub 2}O, presented in the previous paper, are analyzed here. First, centrifugal distortion effects were removed from the observed moments. The rotationless moments were then considered in terms of a dipole moment function for water. The moments were combined with first dipole derivatives to determine second derivatives of the moment with respect to normal coordinates. This procedure indicated inconsistencies between existing first derivatives and the permanent moments, which were attributed to approximations made when the first derivatives were obtained from the infrared intensity data. A combined analysis of the original transition moment data and the permanent moments yielded consistent first and second derivatives, but with less accuracy than the input data. The overall results include: the first accurate determination of the equilibrium value, and vibrational energy dependence, of the dipole moment; new second derivative values; and an increased awareness of the need for more complete analysis of the vibrational properties of water.

• DOE Contract Number: FG02-87ER60514
• OSTI ID: 5838199
• Journal Information: Journal of Chemical Physics; (USA), Journal Name: Journal of Chemical Physics; (USA) Vol. 94:9; ISSN JCPSA; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
CHARGE DISTRIBUTION
DIPOLE MOMENTS
ELECTRIC DIPOLE MOMENTS
ELECTRIC MOMENTS
ENERGY DEPENDENCE
ENERGY LEVELS
EXCITED STATES
HYDROGEN COMPOUNDS
INFRARED SPECTRA
OXYGEN COMPOUNDS
SPECTRA
STARK EFFECT
VIBRATIONAL STATES
WATER