Two equivalent methyl internal rotations in 2,5-dimethylthiophene investigated by microwave spectroscopy

被引:36
|
作者
Vinh Van [1 ]
Stahl, Wolfgang [1 ]
Ha Vinh Lam Nguyen [2 ]
机构
[1] Rhein Westfal TH Aachen, Inst Phys Chem, D-52074 Aachen, Germany
[2] Univ Paris Est, LISA, UMR 7583, CNRS,Univ Paris Est & Paris Diderot, F-94010 Creteil, France
关键词
BARRIER HEIGHT; SPECTRUM; MOMENT;
D O I
10.1039/c5cp03513a
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The microwave spectrum of 2,5-dimethylthiophene, a sulfur-containing five-membered ring with two conjugated double bonds, was recorded in the frequency range from2 to 40 GHz using molecular beam Fourier transform technique. Highly accurate molecular parameters were determined. A labeling scheme for the group G(36) written as the semi-direct product (C-3(I) x C-3(I)) C-2v was introduced.
引用
收藏
页码:32111 / 32114
页数:4
相关论文
共 24 条
  • [21] Internal rotation and chlorine nuclear quadrupole coupling in 2-chloro-4-fluorotoluene explored by microwave spectroscopy and quantum chemistry
    Nair, K. P. Rajappan
    Herbers, Sven
    Bailey, William C.
    Obenchain, Daniel A.
    Lesarri, Alberto
    Grabow, Jens-Uwe
    Nguyen, Ha Vinh Lam
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2021, 247
  • [22] Molecular structure and internal rotation of CH2Cl group of chloropropanone oxime: gas electron diffraction, microwave spectroscopy, and quantum chemical calculation studies
    Kuze, Nobuhiko
    Watado, Takashi
    Takahashi, Yuri
    Sakaizumi, Takeshi
    Ohashi, Osamu
    Kiuchi, Minako
    Iijima, Kinya
    STRUCTURAL CHEMISTRY, 2015, 26 (5-6) : 1241 - 1257
  • [23] Three isomers detected for the whisky lactone: 5-butyl-4-methyl tetrahydrofuran-2-one by Fourier transform microwave spectroscopy and quantum chemical calculations
    Kawashima, Yoshiyuki
    Katsuragi, Ryusuke
    Hirota, Eizi
    JOURNAL OF MOLECULAR SPECTROSCOPY, 2017, 335 : 27 - 32
  • [24] Electronic spectra of 2-and 3-tolunitrile in the gas phase. I. A study of methyl group internal rotation via rovibronically resolved spectroscopy
    Arturo Ruiz-Santoyo, Jose
    Wilke, Josefin
    Wilke, Martin
    Yi, John T.
    Pratt, David W.
    Schmitt, Michael
    Alvarez-Valtierra, Leonardo
    JOURNAL OF CHEMICAL PHYSICS, 2016, 144 (04)