Electric dipole moments of acrylonitrile and of propionitrile measured in supersonic expansion

Journal of Molecular Spectroscopy(2011)

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摘要
New determinations of the ground-state electric dipole moments of acrylonitrile and propionitrile have been made from Stark effect measurements at conditions of supersonic expansion. The measurements were made on selected Stark lobes of fully resolved hyperfine components of several lowest-J rotational transitions. The results are μa=3.821(3) D, μb=0.687(8) D, μtot=3.882(3) D for acrylonitrile, and μa=3.816(3) D, μb=1.235(1) D, μtot=4.011(3) D for propionitrile. The new value of μb for acrylonitrile is appreciably different from those reported previously and it has been substantiated by both ab initio calculations and relative intensity measurements. The new dipole moment implies a considerable revision in the calculated intensities of the strongest THz-region rotational transitions of acrylonitrile, to 59% of previous values.
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关键词
Electric dipole moments,Stark measurements,Transition intensities,Supersonic expansion,THz-spectrum
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