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Title:HIGH RESOLUTION INFRARED SPECTROSCOPY OF CYANO-OXIRANE (c-C2H3OCN)
Author(s):Chen, Ziqiu
Contributor(s):Stohner, Jürgen ; Quack, Martin ; Manca Tanner, Carine ; Lerch, Philippe ; Keppler, Karen ; Albert, Sieghard
Subject(s):Astronomy
Abstract:Oxiranecarbonitrile (cyano-oxirane, c-C$_{2}$H$_{3}$OCN) is of interest as a possible chiral precursor molecule of evolution$\footnote{M. Bolli, R. Micura, A. Eschenmoser, \emph{Chem. Biol.}, \textbf{1997}, 4, 309 (and refs. cited therein).}$. We have calculated parity violation in this molecule$\footnote{R. Berger, M. Quack, G. Tschumper, \emph{Helv. Chim. Acta.}, \textbf{2000}, 83, 1919.}$ in view of possible experiments and biomolecular homochirality$\footnote{M. Quack, \emph{Chem. Phys. Lett.} \textbf{1986}, 132, 147; M. Quack, \emph{Angew. Chem. Intl. Ed.}, \textbf{2002}, 41, 4618.}$. The spectrum of the molecule has been investigated in the millimeter, submillimeter$\footnote{M. Behnke, I. Medvedev, M. Winnewisser, F. C. De Lucia, and E. Herbst, \emph{ApJ. Supplement Series}, \textbf{2004}, 152, 97.}$ and terahertz$\footnote{S. Albert, Ph. Lerch, K. Keppler and M. Quack, \emph{Proceedings of the XX. Symposium on Atomic, Cluster and Surface Physics 2016, (SASP 2016)}, Innsbruck University Press (2016), pp. 165-168 (and refs. cited therein).}$ regions. Here we report high resolution (0.0011 \wn) measurements of the infrared spectrum of this molecule at room temperature using the Zurich Prototype ZP 2001 FTIR Spectrometer, and a rovibrational analysis of about two thousand transitions associated with the \nub{12} (915.3 \wn) and \nub{13} (848.2 \wn) fundamentals using a Watson Hamiltonian and the WANG program$\footnote{D. Luckhaus and M. Quack, \emph{Mol. Phys.}, \textbf{1989}, 68, 745; S. Albert, K. Keppler Albert, H. Hollenstein, C. Manca Tanner, M. Quack in "Handbook of High Resolution Spectroscopy," M. Quack and F. Merkt, Eds., 2011, Vol. 1, Chapter 3, pp. 117-173, Wiley, Chichester.}$, including also molecular parameters and ground state energies from our work in the THz region$^{\emph{e}}$. Accurate spectroscopic parameters were obtained. The results are discussed in relation to astrophysical spectroscopic searches and the evolution of biomolecular homochirality$\footnote{M. Quack, \emph{Adv. Chem. Phys.}, \textbf{2014}, 157, 249.}$.
Issue Date:23-Jun-20
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/107484
Date Available in IDEALS:2020-06-26


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