Microwave spectrum, barrier to internal rotation, structure, and dipole moment of 1,1,1,2-tetrafluoroethane
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説明
Abstract The microwave spectrum of CF3CH2F has been studied in the 8 to 26 GHz region, with b-type, Q- and R-branch transitions being assigned for the ground vibrational state and first excited torsional state. Relative intensity measurements give a torsional frequency of 108 ± 18 cm−1, which lead to a barrier to internal rotation V3 = 3.3 ± 0.8 kcal mol−1. The dipole moments determined from the observed first-second order Stark effect are μa = 0.411 ± 0.0009 D, μb = 1.75± 0.22 D, and μtotal = 1.80 ± 0.22 D. Observed moments of inertia suggest that the CF3 group is not symmetrical or its axis and the CC bond are not collinear. The distance rF′⋯F′ is obtained 2.1594 ± 0.0006 A, where F′ refers to the outer plane fluorine atoms in the CF3 group.
収録刊行物
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- Journal of Molecular Structure
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Journal of Molecular Structure 140 49-56, 1986-01-01
Elsevier BV