Assignment of the - and Smm-Wave Rotational Spectra of Rare Isotopologues of Cyanamide and the r_m^{(1)} Molecular Geometry of NH_2CN

Details Assignment of the - and Smm-Wave Rotational Spectra of Rare Isotopologues of Cyanamide and the r_m^{(1)} Molecular Geometry of NH_2CN Assignment of the - and Smm-Wave Rotational Spectra of Rare Isotopologues of Cyanamide and the r_m^{(1)} Molecular Geometry of NH_2CN

Jun 2009

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009mss..conferh14k&link_type=abstract

"International Symposium On Molecular Spectroscopy, 64th Meeting, Held 22-26 June, 2009 at Ohio State University. http://molspec

Astronomy and Astrophysics

Astrophysics

Microwave

Scientific paper

The cyanamide molecule is one of the prototype systems for the study of the large-amplitude inversion motion at the nitrogen atom, and it is also a potential astrophysical species. The mm-wave, smm-wave, and the far infrared spectra of the parent and the two principal deuterated isotopic species are now known in considerable detail.
Presently we report an extended analysis of rotational transitions in the 0^+ and 0^- inversion states for 7 rare isotopic species of cyanamide, measured in the 118-650 GHz frequency region on a deuterated sample with natural abundance of carbon and nitrogen. The spectra of five isotopologues: H_2N^{13}CN, HDN^{13}CN, D_2N^{13}CN, HD^{15}NCN, and HDNC^{15}N, have been assigned for the first time. For D_2^{15}NCN and D_2NC^{15}N the knowledge of the rotational spectrum has also been considerably improved relative to preceding work.
The availability of spectroscopic constants for 12 different isotopic species allowed determination of the complete r_m^{(1)} and r_m^{(1{L})} geometries of cyanamide, providing direct experimental information on the pyramidal nature of the NH_2 group in cyanamide and on the nonlinearity of the NCN segment. The new experimental geometry is compared with results of ab initio calculations.
G. Moruzzi et al., J. Mol. Spectrosc., 190, 353-364 (1998).
Z. Kisiel et al., 63rd OSU International Symposium on Molecular Spectroscopy}, WK08, 2008.
J. K. G. Watson et al., J. Mol. Spectrosc., 196, 102-119 (1999)

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