Calculated energy levels and intensities for the nu1 and 2nu2 bands of HDO
Creators
- 1. Laboratoire de Physique Moleculaire et d'Optique Atmospherique, Orsay, France
Description
A Hamiltonian taking explicitly into account both Fermi and Coriolis interactions has been set up for triatomic molecules of symmetry C/sub s/ and used to reproduce very satisfactorily the available rotational energy levels of the [(100), (020)] interacting states of HDO, providing realistic wavefunctions as well as precise rotational constants and vibrational energies. To calculate line intensities, these wavefunctions were used together with suitably chosen transition moment operators expanded up to degree 2 in Jvector and having the correct symmetry in the C/sub s/ group, leading to hybrid bands of both A- and B- type. Using this formalism, it has been possible to determine, from the fit of the existing experimental intensities, the coefficients appearing in the expansions of the transition moments operators of the 2nu2 and nu1 bands of HDO. 2 references
Additional details
Publishing Information
- Publisher
- Ohio State University.
- Imprint Place
- Columbus, OH (USA)
- Imprint Title
- Fortieth symposium on molecular spectroscopy
- Journal Page Range
- p. 54.
Conference
- Title
- 40. symposium on molecular spectroscopy.
- Dates
- 17-21 Jun 1985.
- Place
- Columbus, OH (USA).
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 17071778
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- CORIOLIS FORCE; DEUTERIUM COMPOUNDS; FERMI RESONANCE; HAMILTONIANS; HEAVY WATER; MATHEMATICAL MODELS; MEETINGS; MOLECULAR STRUCTURE; ROTATIONAL STATES; VIBRATIONAL STATES; WAVE FUNCTIONS
- Descriptors DEC
- ENERGY LEVELS; EXCITED STATES; FUNCTIONS; HYDROGEN COMPOUNDS; MATHEMATICAL OPERATORS; OXYGEN COMPOUNDS; POLAR SOLVENTS; QUANTUM OPERATORS; RESONANCE; SOLVENTS; WATER