The ฮฝ 5 fundamental (C-C stretching) of CH 3 CD 3 shows a resolved torsional structure, caused by perturbations due mainly to the linear dependence of the torsional potential barrier on the normal coordinate Q 5 . We were able to analyze this structure and to assign vibration-rotation transition wav
Predicted Raman Intensities of CH3CCH, CH3CCD, CD3CCH, CD3CCD and 12CH313C13CH
โ Scribed by Todor Dudev
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 317 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0377-0486
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โฆ Synopsis
The bond polarizability theory was employed in predicting the Raman intensities of CH 3 CCH, CH 3 CCD, and by transferring polarizability parameters from ethane and acetylene. CD 3 CCH, CD 3 CCD 12CH 3 13C 13CH Good agreement between the observed and predicted spectra of was obtained. The e โ ect of isotopic CH 3 CCH substitution on the intensity of Raman lines is discussed.
๐ SIMILAR VOLUMES
## 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
The I3C shielding of the isotopomers CH,Cl, CH,DCl, CHD,Cl, and CD,C1 has been calculated for a range of temperatures from an self-consistent field (SCF) shielding surface computed by Buckingham and Olegario. It is found that each successive deuterium substitution increases the shielding by about 0.