Abstract
A theory of the transformed dipole moment operator for nonrigid H2X-type molecules has been worked out using the method of contact transformation. The treatment takes into account the large amplitude bending motion, which is described by the coordinate ρ{variant}. Formulae obtained for the transformed dipole moment operator for bending vibration quantum bands and for combination bands have been used for the determination of the functions μex(ρ{variant}), μ1x(ρ{variant}) and μ3z(ρ{variant}) from the expansion of the molecular fixed component μα(ρ{variant}, q) (α = x, y, z) of the electric dipole moment of the H2O molecule over q normal coordinates. Some different model forms for this function have been used.
Original language | English |
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Pages (from-to) | 119-131 |
Number of pages | 13 |
Journal | Journal of Molecular Structure |
Volume | 271 |
Issue number | 1-2 |
DOIs | |
Publication status | Published - 15 Aug 1992 |
ASJC Scopus subject areas
- Analytical Chemistry
- Spectroscopy
- Organic Chemistry
- Inorganic Chemistry