Volume 33 Issue 1
Apr.  2020
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Juan Wang, Xiao-long Li, Qian Gou, Gang Feng. Microwave Spectrum and Structure of 2-(Trifluoromethyl)pyridine[J]. Chinese Journal of Chemical Physics , 2020, 33(1): 53-57. doi: 10.1063/1674-0068/cjcp1910186
Citation: Juan Wang, Xiao-long Li, Qian Gou, Gang Feng. Microwave Spectrum and Structure of 2-(Trifluoromethyl)pyridine[J]. Chinese Journal of Chemical Physics , 2020, 33(1): 53-57. doi: 10.1063/1674-0068/cjcp1910186

Microwave Spectrum and Structure of 2-(Trifluoromethyl)pyridine

doi: 10.1063/1674-0068/cjcp1910186
More Information
  • Corresponding author: Gang Feng, E-mail: fengg@cqu.edu.cn
  • Received Date: 2019-10-25
  • Accepted Date: 2019-10-21
  • Publish Date: 2020-02-27
  • The high resolution rotational spectrum of 2-(trifluoromethyl)pyridine in 2$ - $20 GHz was recorded and analyzed. Spectroscopic parameters including rotational constants, nuclear quadrupole coupling constants of $ ^{14} $N as well as the centrifugal distortion constants were determined. The rotational spectra of five mono-substituted $ ^{13} $C and one $ ^{15} $N isotopologues were also measured and assigned in natural abundance. Experimental results complemented by ab initio calculations lead to an accurate determination of the skeleton structure. The values of the planar moment inertia $ P_{cc} $ were determined to be 44.46 uÅ$ ^2 $ for all the measured isotopologues, indicating a C$ _ \rm{s} $ symmetry of this molecule. The molecular electrostatic surface potential was calculated to illustrate the trifluoromethyl substitution effects on the electron distribution.

     

  • Part of the special topic on "The 3rd Asian Workshop on Molecular Spectroscopy"
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