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Rotational spectra of 2,3,6-trifluoropyridine: effect of fluorination on the ring geometry
Qian Gou
Chongqing University
Abstract:
The ground state rotational spectrum of 2,3,6-trifluoropyridine has been investigated in the 2-20 GHz region by pulsed jet Fourier transform microwave spectroscopy. The experimental rotational constants are A = 3134.4479(2) MHz, B = 1346.79372(7) MHz and C = 941.99495(6) MHz. The transitions are so intense that rotational transitions of all mono-13C and 15N isotopologues are measured in natural abundance. The semi-experimental equilibrium rotational constants of the 7 isotopologues were derived by taking account the anharmonic vibrational corrections, which allowed a semi-experimental determination of the equilibrium structure of 2,3,6-trifluoropyridine.
Key words:  2,3,6-Trifluoropyridine  Fluorination  Semi-experimental structure  Rotational spectra
FundProject:
Rotational spectra of 2,3,6-trifluoropyridine: effect of fluorination on the ring geometry
Q. Gou
Department of Chemistry, School of Chemistry and Chemical Engineering, Chongqing University, Daxuecheng South Rd. 55, 401331, Chongqing, China
摘要:
The ground state rotational spectrum of 2,3,6-trifluoropyridine has been investigated in the 2-20 GHz region by pulsed jet Fourier transform microwave spectroscopy. The experimental rotational constants are A = 3134.4479(2) MHz, B = 1346.79372(7) MHz and C = 941.99495(6) MHz. The transitions are so intense that rotational transitions of all mono-13C and 15N isotopologues are measured in natural abundance. The semi-experimental equilibrium rotational constants of the 7 isotopologues were derived by taking account the anharmonic vibrational corrections, which allowed a semi-experimental determination of the equilibrium structure of 2,3,6-trifluoropyridine.
关键词:  2,3,6-Trifluoropyridine  Fluorination  Semi-experimental structure  Rotational spectra
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