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 Title: Chemical synthesis and high resolution spectroscopic characterization of 1-aza-adamantane-4-one c9h13no from the microwave to the infrared Author(s): Pirali, Olivier Contributor(s): Fusco, Caterina; Annese, Cosimo; D'accolti, Lucia; Boudon, Vincent; Goubet, Manuel Subject(s): Fundamental interest Abstract: \begin{wrapfigure}{l}{0pt} \includegraphics[width=5.5cm]{AzaAdamantanone.eps} %\caption{Calculated structure} \end{wrapfigure} We have synthesized 1-aza-adamantane-4-one (C$_9$H$_{13}$NO) starting from commercial 1,4-cyclohexanedionemonoethylene acetal and tosylmethylisocianide and following a procedure described in details in the literature.\footnote{Black, R. M. Synthesis, 1981, 829} The high degree of sample purity was demonstrated by gas chromatography and mass spectrometric measurements, and its structure evidenced by 1H and 13C NMR spectroscopy. We present a thorough spectroscopic characterization of this molecule by gas phase vibrational and rotational spectroscopy. Accurate vibrational frequencies have been determined by infrared and far-infrared spectra. The pure rotational spectrum of the molecule has been recorded both by cavity-based Fourier-transform microwave spectroscopy in the 2-20 GHz region, by supersonically expanding the vapor pressure of the warm sample, and by room-temperature absorption spectroscopy in the 140-220 GHz range. Quantum-chemical calculations have enabled a fast analysis of the spectra. Accurate sets of rotational and centrifugal distorsion parameters of 1-aza-adamantane-4-one in its ground state and five vibrationally excited states have been derived from these measurements. Issue Date: 2016-06-21 Publisher: International Symposium on Molecular Spectroscopy Genre: Conference Paper/Presentation Type: Text Language: En URI: http://hdl.handle.net/2142/91443 Rights Information: Copyright 2016 by the authors Date Available in IDEALS: 2017-01-26
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