## Dedicated to Professor Duilio Arigoni on the occasion of his 75th birthday We present calculations on the parity-conserving and the parity-violating potentials in several MeOH isotopomers for the torsional motion by the newly developed methods of electroweak quantum chemistry from our group. Th
Microwave Torsional–Rotational Spectra of gauche CH3CD2OH and CH3CD2OD
✍ Scribed by Chun Fu Su; C.Richard Quade
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 124 KB
- Volume
- 199
- Category
- Article
- ISSN
- 0022-2852
No coin nor oath required. For personal study only.
✦ Synopsis
The microwave torsional-rotational spectra of gauche CH 3 CD 2 OH and CH 3 CD 2 OD have been identified, assigned, and analyzed up to 70 GHz. From the observed a-and c-dipole transitions, it has been possible to determine the effective rotational coefficients and the gauche tunneling energy of the hydroxyl internal rotation. The product of inertia terms I xy and I xz were included in the analyses using the framework fixed axis method (FFAM) approach to the hydroxyl internal rotation. Further, the analyses were sensitive to selected effective centrifugal distortion coefficients. For CH 3 CD 2 OH, a-dipole lines were assigned for the first excited gauche state. As for CH 3 CH 2 OH, these lines were highly nonrigid rotor in behavior more than likely due to the resonance with the first excited state of the methyl torsion.
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