A new interpretation of the OH-stretch spectrum of ice
- 15 February 1999
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 110 (7), 3437-3443
- https://doi.org/10.1063/1.478210
Abstract
A new interpretation is presented of the vibrational band shapes of the proton disordered ice Ih and Ic in the OH and OD stretch region. The vibrationally excited states are shown to be related to those of a periodic system, whose unit cell is composed of four oscillating dipoles in a tetrahedral arrangement around an O-atom. Analysis of the excitations in this periodic system and of the perturbation induced by disorder is used to provide a detailed assignment of the band shapes of the measured spectra.Keywords
This publication has 16 references indexed in Scilit:
- Simulations of H2O Solid, Liquid, and Clusters, with an Emphasis on Ferroelectric Ordering Transition in Hexagonal IceThe Journal of Physical Chemistry B, 1998
- Molecular bending mode frequencies of the surface and interior of crystalline iceThe Journal of Chemical Physics, 1998
- Infrared spectra of ice surfaces and assignment of surface-localized modes from simulated spectra of cubic iceThe Journal of Chemical Physics, 1995
- Infrared line shapes of clusters and microcrystals: Vibrational modes mixed by dipole interactionsThe Journal of Chemical Physics, 1994
- Transverse optical to longitudinal optical splitting and dipole moment derivatives from infrared spectra of thin films of molecular solidsThe Journal of Physical Chemistry, 1991
- Vibrational spectra and point defect activities of icy solids and gas phase clustersInternational Reviews in Physical Chemistry, 1990
- A theoretical analysis of the hydroxyl stretching spectra of ice Ih, liquid water, and amorphous solid waterThe Journal of Physical Chemistry, 1983
- Morse oscillator transition probabilities for molecular bond modesChemical Physics, 1978
- A detailed assignment of the O–H stretching bands of ice ICanadian Journal of Chemistry, 1977
- Infrared intensities of the stretching and librational bands of H2O, D2O, and HDO in solidsSpectrochimica Acta Part A: Molecular Spectroscopy, 1968