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- W2021244993 abstract "Abstract The microwave spectrum of ethylphosphonic difluoride, CH3CH2P(O)F2, has been recorded from 26.5 to 39.0 GHz. The R-branches of the a-type transitions have been assigned for both the trans and gauche conformers. For the gauche conformer, the b-type Q transitions of the ground and one vibrationally excited states have also been assigned. Utilizing 91 transitions for the gauche form and 14 transitions for the trans form, the rotational and first order distortional constants have been obtained. From relative intensity measurements, it is estimated that the enthalpy difference between the two conformers is less than 10 cm−1. Ab initio calculations have been carried out using the RHF 3-21 G ∗ , RHF 6-31 G ∗ and MP 2 6-31 G ∗ basis sets, from which structural parameters have been obtained. Utilizing the ab initio data, along with the six rotational constants, structural parameters have been determined by the diagnostic least-squares adjustment procedure. Additionally, from measurements of the frequency of the Stark effect, the dipole moment components of the gauche conformer have been determined. The experimental results are compared to those for some similar molecules." @default.
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- W2021244993 date "1995-09-01" @default.
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- W2021244993 title "Spectra and structure of organophosphorus compounds. LV. Microwave spectrum, structure, and ab initio calculations of ethylphosphonic difluoride" @default.
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