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Rotational spectra of 2,3,6-trifluoropyridine: Effect of fluorination on ring geometry
Chinese Journal of Chemical Physics Pub Date : 2020-02-01 , DOI: 10.1063/1674-0068/cjcp1910184
Jun-hua Chen 1 , Juan Wang 1 , Gang Feng 1 , Qian Gou 1
Affiliation  

The ground state rotational spectrum of 2, 3, 6-trifluoropyridine has been investigated in the 2.0 \begin{document}$ - $\end{document} 20.0 GHz region by pulsed jet Fourier transform microwave spectroscopy. The experimental rotational constants are \begin{document}$ A $\end{document} = 3134.4479(2) MHz, \begin{document}$ B $\end{document} = 1346.79372(7) MHz, and \begin{document}$ C $\end{document} = 941.99495(6) MHz. The transitions are so intense that rotational transitions of all mono- \begin{document}$ ^{13} $\end{document} C and \begin{document}$ ^{15} $\end{document} N 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.

中文翻译:

2,3,6-三氟吡啶的旋转光谱:氟化对环几何形状的影响

已经通过脉冲喷射傅立叶变换微波光谱法在20.0 GHz区域研究了2,3,6-三氟吡啶的基态旋转光谱。实验旋转常数为\ begin {document} $ A $ \ end {document} = 3134.4479(2)MHz,\ begin {document} $ B $ \ end {document} = 1346.79372(7)MHz和\ begin {document } $ C $ \ end {document} = 941.99495(6)MHz。跃迁是如此强烈,以至于测量了所有单-\ begin {document} $ ^ {13} $ \ end {document} C和\ begin {document} $ ^ {15} $ \ end {document} N个同位素异构体的旋转跃迁自然丰富。考虑到非谐振动校正,得出了7个同位素的半实验平衡旋转常数,
更新日期:2020-02-01
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