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

Citation
B. Mate et al., Complete structure of gauche 1,1,2,2-tetrafluoroethane determined by microwave spectroscopy, J PHYS CH A, 104(42), 2000, pp. 9489-9493
Citations number
23
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
104
Issue
42
Year of publication
2000
Pages
9489 - 9493
Database
ISI
SICI code
1089-5639(20001026)104:42<9489:CSOG1D>2.0.ZU;2-1
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-m olecular-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 ele ctric 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 uncert ainties (i.e., 1 sigma). The experimental results for the geometric paramet ers of TFEA are compared with two recent ab initio calculations.