Complete structure of gauche 1,1,2,2-tetrafluoroethane determined by microwave spectroscopy

被引:4
作者
Maté, B
Walker, AH
Suenram, RD
Craig, NC [1 ]
机构
[1] Oberlin Coll, Dept Chem, Oberlin, OH 44074 USA
[2] Natl Inst Stand & Technol, Opt Technol Div, Gaithersburg, MD 20899 USA
关键词
D O I
10.1021/jp001913i
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 complete molecular structure of the high-energy gauche rotamer of 1,1,2,2-tetrafluoroethane (TFEA), Freon F134, has been determined using pulsed-molecular-beam Fourier transform microwave spectroscopy. Five different C-13- and H-2-substituted isotopomers, in addition to the normal species, were studied. Unlike the nonpolar anti rotamer, the gauche form has a permanent electric dipole moment, which permits a direct rotational analysis. The electric dipole moment was also determined using the Stark effect of two low-J transitions. The resulting dipole moment is mu (c) = 8.186(7) x 10(-30) C m [2.454(2) Debye] where the numbers in parentheses are the standard uncertainties (i.e., 1 sigma). The experimental results for the geometric parameters of TFEA are compared with two recent ab initio calculations.
引用
收藏
页码:9489 / 9493
页数:5
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