Spectroscopy and dynamics of the isolated CH chromophore in CD3H: Experiment and theory
β Scribed by Sigrid Peyerimhoff; Marius Lewerenz; Martin Quack
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 591 KB
- Volume
- 109
- Category
- Article
- ISSN
- 0009-2614
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We have measured the complete rovibrational spectrum of dideutero-fluoro-methane (CD2HF) from the far-infrared (20 cm-1 ) to the visible ( 14000 cm-~ ) largely at Doppler-limited resolution. Rovibrational parameters are reported for CH-stretching and bending fundamentals and overtones. The spectra o
We report ab initio (SCF-MP2 and CI ) calculations on the three-dimensional anharmonic potential and dipole functions of the coupled vibrational modes of the CH chromophore in CD2HF. Predictions of fundamental and overtone spectra are obtained from 3D solutions of the vibrational SchriSdinger equati
Product distributions for the reactions of CH$ and CDf with methanol, methanol-da, and ethanol studied in a tandemkm CpdOtrOTl resonance mass SpeCtrOmeter are reported. The major reaction pathways may 5c rationalized in terms of 3x1 intermediate species havving a pro&mated ether structure. The react
Remarkable differences in some physical properties, such as number density, shear viscosity, sound velocity and adiabatic compressibility, were observed above 40 β’ C in the isotopomer pair CH 3 CN and CD 3 CN. These differences do not fall within the normal dynamic isotope effects; they were demonst