Coriolis constants of spherical-top molecules from low-temperature infrared studies of vapor band contours
| Autor: | Larned B. Asprey, Robin S. McDowell |
|---|---|
| Rok vydání: | 1973 |
| Předmět: |
Materials science
Valence (chemistry) Line fitting Infrared Overtone Tungsten hexafluoride Atmospheric temperature range Atomic and Molecular Physics and Optics Spectral line Force field (chemistry) chemistry.chemical_compound Nuclear magnetic resonance chemistry Physical and Theoretical Chemistry Atomic physics Spectroscopy |
| Zdroj: | Journal of Molecular Spectroscopy. 48:254-265 |
| ISSN: | 0022-2852 |
| Popis: | The infrared-active stretching fundamental ν3 of WF6 vapor has been studied over the temperature range T = 190–310 K. At lower temperatures the hot-band structure is sufficiently suppressed to allow accurate measurements of the P-R branch spacing, which is a linear function of T 1 2 . From the slope of a least-squares line fitting 36 measured spacings, the Coriolis constant is found to be ζ3 = 0.123. Enough overtone and combination bands have been observed in the infrared and laser Raman spectra of WF6 for harmonic fundamental frequencies to be estimated. Harmonic force constants are calculated, using ζ3 as the necessary additional constraint in the F1u symmetry block. Possible sources of error are discussed and error limits are estimated for all reported frequencies and force constants. The valence stretching force constant is r = 5.50 ± 0.07 mdyn/ A . |
| Databáze: | OpenAIRE |
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