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Author(s):Motiyenko, R.A.
Contributor(s):Guillemin, J.-C.; Margulès, L.
Abstract:Recently we studied the rotational spectrum of hydroxyacetonitrile (HOCH$_2$CN, HAN) in order to provide a firm basis for its possible detection in the interstellar mediumfootnote{Margul`es L., Motiyenko R.A., Guillemin J.-C. textit{68th ISMS}, textbf{2013}, TI12.}. Different plausible pathways of the formation of HAN in the interstellar conditions were proposed;footnote{Danger G. et al. textit{Phys. Chem. Chem. Phys.} textbf{2014}, 16, 3360.} however, up to now, the searches for this molecule were unsuccessful. To continue the study of nitriles that represent an astrophysical interest we present in this talk the analysis of the rotational spectrum of 4-hydroxy-2-butynenitrile (HOCH$_2$CC-CN, HBN), the next molecule in the series of hydroxymethyl nitriles. Using the Lille spectrometer the spectrum of HBN was measured in the frequency range 50 -- 500 GHz. From the spectroscopic point of view HBN molecule is rather similar to HAN, because of -OH group tunnelling in textit{gauche} conformation. As it was previously observed for HAN, due to this large amplitude motion, the splittings in the rotational spectra of HBN are easily resolved making the spectral analysis more difficult. Additional difficulties arise from the near symmetric top character of HBN ($kappa = -0.996$), and very dense spectrum because of relatively small values of rotational constants and a number of low-lying excited vibrational states. The analysis carried out in the frame of reduced axis system approach of Pickettfootnote{Pickett H.M. textit{J. Chem. Phys.} textbf{1972}, 56, 1715.} allows to fit within experimental accuracy all the rotational transitions in the ground vibrational state. Thus, the results of the present study provide a reliable catalog of frequency predictions for HBN. \ em{The support of the Action sur Projets de l�INSU PCMI, and ANR-13-BS05-0008-02 IMOLABS is gratefully acknowledged}
Issue Date:25-Jun-15
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:ACS
Genre:Conference Paper / Presentation
Date Available in IDEALS:2016-01-05

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