2020•Chinese Journal of Chemical PhysicsRequires access

Rotational spectra of 2,3,6-trifluoropyridine: Effect of fluorination on ring geometry

Junhua Chen, Juan Wang, Gang Feng, Qian Gou

Abstract

The ground state rotational spectrum of 2,3,6-trifluoropyridine has been investigated in the 2.0–20.0 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 of the anharmonic vibrational corrections, which allowed a semi-experimental determination of the equilibrium structure of 2,3,6-trifluoropyridine.

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Key concepts: Isotopologue, Rotational spectroscopy, Anharmonicity, Rotational spectrum, Microwave, Spectral line, Rotational transition, Chemistry