Title

Complete Structure of Gauche 1,1,2, 2-Tetrafluoroethane Determined by Microwave Spectroscopy

Abstract

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 13C- and 2H-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 μc = 8.186(7) × 10-30 C m [2.454(2) Debye] where the numbers in parentheses are the standard uncertainties (i.e., 1σ). The experimental results for the geometric parameters of TFEA are compared with two recent ab initio calculations.

Publisher

American Chemical Society

Publication Date

1-1-2000

Publication Title

Journal of Physical Chemistry A

Department

Chemistry and Biochemistry

Document Type

Article

DOI

10.1021/jp001913i

Language

English

Format

text

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