The microwave spectrum of 1,2,3-trifluorobenzene was studied in the frequency region between 5 and \(13 \mathrm{GHz}\) using a molecular beam Fourier transform microwave spectrometer. The rotational and quartic centrifugal distortion constants were found to be \(A=2319.5995\) (2) \(\mathrm{MHz}, B=\
Microwave Spectrum of 1-Cyano-3-fluoro-but-1-ene
✍ Scribed by S. Kassi; D. Grée; R. Grée; D. Duflot; D. Petitprez; G. Wlodarczak
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 113 KB
- Volume
- 202
- Category
- Article
- ISSN
- 0022-2852
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✦ Synopsis
The rotational spectrum of the 1-cyano-3-fluoro-but-1-ene has been recorded with a pulsed-nozzle microwave Fourier transform spectrometer over the range 6 -20 GHz. The frequencies were fitted to the Hamiltonian of Watson ( A-reduction, I r representation). The resulting rotational constants are A ϭ 7493.404(1) MHz, B ϭ 1211.9831(2) MHz, and C ϭ 1096.0908(1) MHz. By comparing the experimental rotational constants with those obtained by ab initio calculations, we found without ambiguity that the stable conformation for the molecule is the one with the fluorine atom lying in the CACCN plane (CF-eclipsed conformer).
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