G. N. D. Al-Ajdah, B. Beagley, M. Jones
Aug 1, 1980
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0
Influential Citations
18
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract The molecular structure of 1,1,1,2-tetrafluoroethane is studied using gas-phase electron diffraction data collected on the Balzers KDG2 instrument. Effective least-squares refinement of the geometry is achieved with values for vibrational amplitudes transferred from normal coordinate calculations on related molecules. The following values for the main independent geometrical parameters are obtained ( r a values with e.s.d. in parentheses): C-C = 1.501(4) A, C-H = 1.077 (15) A, C-F(CH 2 F) = 1.389(6) A, C-F(CF 3 ) = 1.334 (2) A, ∠CCH= 106.1(12)°, ∠CCF(CH 2 F)= 112.3(4) A, ∠CCF(CF 3 )= 110.4(2). Other angles are ∠FCF = 108.6 (2)° and ∠FCH = 111.4(15)°, with ∠HCH constrained at 109.4°. The r a bond lengths of all the fluoroethanes are compared.