DETAILED ANALYSIS OF THE $0^+-0^-$ INVERSION DOUBLET IN D$_2$NCN and HDNCN CYANAMIDE
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Date
2008
Journal Title
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Publisher
Ohio State University
Abstract
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 known astrophysical species. The rotational and vibration-rotation spectrum of the parent species has already been studied in considerable detail.}, 69-78 (1993). }$^,$}, 353-364 (1998).} Information on the deuterated isotopologues has, hitherto, been limited to transitions measured at frequencies of less, or much less, than 60 GHz. \vspace{0.2cm} Presently we report a detailed analysis of pure rotational and vibration-rotation transitions in the $0^+-0^-$ inversion doublets for the two deuterated species. The analysis is based on a 118-650 GHz spectrum for D$_2$NCN and HDNCN recorded at rotational resolution, and an 8-360 cm$^{-1}$ spectrum of D$_2$NCN recorded with the Bruker IFS 120HR interferometer at resolution of 0.0025 cm$^{-1}$. The two spectra were assigned and analysed with the modified version of the AABS package}, 39-56 (2007).} for {\it Assignment and Analysis of Broadband Spectra} and the more extensive data set for D$_2$NCN contains well over 2000 lines with $J\le80$ and $K_a\le15$. The measured transition frequencies were fitted to within experimental accuracy with a unified scheme for fitting the inversion doublet transitions in H$_2$NCN, NHDCN and D$_2$NCN. The spectroscopic constants and information on the inversion potential determined from the spectra of the three isotopologues are compared and discussed.
Description
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Author Institution: Institute of Physics, Polish Academy of Sciences, Al. Lotnikow; 32/46, 02-668 Warszawa, Poland; Department of Physics, The Ohio State University, Columbus; OH 43210
Author Institution: Institute of Physics, Polish Academy of Sciences, Al. Lotnikow; 32/46, 02-668 Warszawa, Poland; Department of Physics, The Ohio State University, Columbus; OH 43210