High overtone C–H and O–H transitions in gaseous methanol: Theory
- 15 March 1984
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 80 (6) , 2872-2879
- https://doi.org/10.1063/1.447036
Abstract
High vibrational overtones observed in the laser photoacoustic spectrum of gaseous methanol are interpreted in terms of coupled anharmonic C–H bond modes and an anharmonic O–H bond mode coupled to harmonic C–O and <HOC modes. An ab initio SCF calculation is used to estimate the harmonic part of the potential and the dipole moment operator.Keywords
This publication has 14 references indexed in Scilit:
- Comment on: On the Chapman–Enskog solution method for mixtures [B. C. Eu, J. Chem. Phys. 74, 6373 (1981)]The Journal of Chemical Physics, 1983
- Energetics, wave functions, and spectroscopy of coupled anharmonic oscillatorsThe Journal of Chemical Physics, 1983
- Potential models and local mode vibrational eigenvalue calculations for acetyleneMolecular Physics, 1982
- A local mode model for tetrahedral moleculesMolecular Physics, 1982
- Local mode behavior: The Morse oscillator modelSpectrochimica Acta Part A: Molecular Spectroscopy, 1981
- Cooperative excitations of bond modesChemical Physics Letters, 1981
- Intramolecular rate processes in highly vibrationally excited benzeneThe Journal of Chemical Physics, 1979
- Effect of bending vibrations on the high overtone spectrum of the carbon-hydrogen bond mode in benzene-d5The Journal of Physical Chemistry, 1979
- Evaluation of molecular integrals over Gaussian basis functionsThe Journal of Chemical Physics, 1976
- Simplification of the molecular vibration-rotation hamiltonianMolecular Physics, 1968