Microwave Spectrum, Barrier to Internal Rotation, Dipole Moment, and Structure of Trifluoromethylphosphine
- 15 January 1968
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 48 (2) , 812-817
- https://doi.org/10.1063/1.1668716
Abstract
The microwave spectra of CF3PH2, CF3PHD, and CF3PD2 have been observed and analyzed. The barrier to internal rotation is 2360 ± 80 cal/mole, approximately 400 cal/mole higher than the barrier in CH3PH2. The dipole‐moment components are μ a = 1.77 ± 0.01 D , μ c = 0.74 ± 0.03 D , and μ total = 1.92 ± 0.02 D . The structural parameters are r C − P = 1.900 ± 0.006 Å, r P − H = 1.43 ± 0.08 Å, ∠ FCF = 108.0 ± 0.4°, ∠ CPH 91.9 ± 1.9° , and ∠ HPH = 96.7 ± 1.8° . Compared with CH3PH2, the C‐P bond is significantly longer, ∠CPH is smaller, and ∠HPH is larger.Keywords
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