The microwave spectrum of 1-bromo-1-fluoroethane, CHBrF-CH 3 and CHBrF-CH 2 D ( 79/81 Br), has been studied for the first time from 8 to 41 GHz. A least-squares analysis of the observed a-and b-type transition frequencies gave rotational and centrifugal distortion constants and components of the bro
Nuclear Quadrupole Coupling Constants of Chlorine and Microwave Spectrum, Structure, and ab Initio Calculation of 1-Chloro-1,1,2-trifluoroethane
β Scribed by Bingxin Liu; Yoshio Tatamitani; Jun Shimada; Teruhiko Ogata
- Publisher
- Elsevier Science
- Year
- 2002
- Tongue
- English
- Weight
- 194 KB
- Volume
- 211
- Category
- Article
- ISSN
- 0022-2852
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β¦ Synopsis
The microwave spectrum of the 35 Cl and 37 Cl isotopic species of 1-chloro-1,1,2-trifluoroethane (HCFC-133b) has been investigated in the frequency region 10 to 50 GHz using a Stark modulation microwave spectrometer. A pulsed jet Fourier transform microwave spectrometer was also used for the measurement of hyperfine splittings. A least-squares analysis of the observed b-type Q-and R-branch transition frequencies gave rotational and centrifugal distortion constants and components of the chlorine nuclear quadrupole coupling constant tensors in the principal axes system as follows:
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## Abstract The Raman spectrum (4000β200 cm^β1^) of liquid and infrared spectra (4000β400 cm^β1^) of gaseous and liquid 2,2,5,5βtetramethylβ2,5βdisilaβ1βoxacyclopentane, __c__βOSi(CH~3~)~2~CH~2~CH~2~Si(CH~3~)~2~, have been recorded. __Ab initio__ and density functional theory (DFT) calculations wit