The Millimeter-and Submillimeter-Wave Spectrum and the Dipole Moment of Ethylenimine

Details The Millimeter-and Submillimeter-Wave Spectrum and the Dipole Moment of Ethylenimine The Millimeter-and Submillimeter-Wave Spectrum and the Dipole Moment of Ethylenimine

Jan 2000

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2000jmosp.199..116t&link_type=abstract

Journal of Molecular Spectroscopy, v.199, p.116-123 (2000)

Astronomy and Astrophysics

Astrophysics

3

Microwave Spectroscopy, Millimeter And Submillimeter Spectroscopy, Ftmw Measurements, Dipole Roment, Quantum Chemical Calculations

Scientific paper

The rotational spectrum of ethylenimine (aziridine, c-C2H4NH) has been investigated in selected regions from 118 GHz to 950 GHz using the Cologne Terahertz Spectrometer. About 320 lines have been measured spanning the quantum numbers 2 <= J <= 59 and 0 <= Kc <= 50. All lines have been fit together with previously published data to yield refined ground state constants such as A=22736.19294 (31) MHz, B=21192.46114 (31) MHz, and C=13383.16401 (30) MHz and centrifugal distortion constants that permit accurate frequency predictions. FTMW measurements were performed at the ETH Zürich to redetermine the dipole moment, to improve 14N-quadrupole-coupling constants as well as to determine 14N-spin-rotation coupling constants. The most reliable values for the components of the dipole moment are μb=0.97 (12) D and μc=1.357 (25) D determined by the Stark- and additional intensity measurements of appropriate b- and c-type transitions. Moreover, we performed quantum chemical calculations of the dipole moment of ethylenimine that confirm these experimental results. This three-membered ring molecule is of potential astrophysical interest.

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