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

被引：2
作者：
Chen, Jun-hua [1 ]
Wang, Juan [1 ]
Feng, Gang [1 ]
Gou, Qian [1 ]
机构：
[1] Chongqing Univ, Sch Chem & Chem Engn, Dept Chem, Chongqing 401331, Peoples R China
来源：
CHINESE JOURNAL OF CHEMICAL PHYSICS | 2020年 / 33卷 / 01期
基金：
中国国家自然科学基金;
关键词：
2; 3; 6-Trifluoropyridine; Fluorination; Semi-experimental structure; Rotational spectra; QUADRUPOLE COUPLING-CONSTANTS; MICROWAVE-SPECTRUM; DIPOLE-MOMENT; MOLECULAR-STRUCTURE; PYRIDINE; SUBSTITUTION; MILLIMETER;
D O I：
10.1063/1674-0068/cjcp1910184
中图分类号：
O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号：
070203 ; 070304 ; 081704 ; 1406 ;
摘要：
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-C-13 and N-15 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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页码：48 / 52
页数：5
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