Files in this item



application/pdf5009.pdf (25kB)
(no description provided)PDF


Title:High Resolution Infrared Spectroscopy Of Cyano-oxirane (c-c2h3ocn)
Author(s):Keppler, Karen
Contributor(s):Stohner, Jürgen; Quack, Martin; Manca Tanner, Carine; Lerch, Philippe; Chen, Ziqiu; Albert, Sieghard
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 in view of possible experiments and biomolecular homochirality$\footnote{R. Berger, M. Quack, G. Tschumper, \emph{Helv. Chim. Acta.}, \textbf{2000}, 83, 1919; M. Quack, \emph{Chem. Phys. Lett.} \textbf{1986}, 132, 147; M. Quack, \emph{Angew. Chem. Intl. Ed.}, \textbf{2002}, 41, 4618.}$. Its spectrum 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. We have recorded its infrared spectrum at 295K with resolution 0.0011 \wn using the Zurich Prototype ZP 2001 FTIR spectrometer $\footnote{S. Albert, K. Albert and M. Quack, \emph{Trends in Optics and Photonics}, \textbf{2003}, 84, 177; "Handbook," Vol. 2, pp. 965-1019 (see also \textit{f}).}$. We report here the results of the rovibrational analysis 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 molecular parameters and ground state energies from our work in the THz region$^{\emph{d}}$. Simulations performed using the parameters reproduce the observed spectrum well. The results are discussed in relation to astrophysical spectroscopic searches and the evolution of biomolecular homochirality$\footnote{M. Quack, \emph{Adv. Chem. Phys.}, \textbf{2014}, 157, 249 (and refs. cited therein); M. Quack and G. Seyfang, in "Molecular Spectroscopy and Quantum Dynamics," R. Marquardt and M. Quack, Eds., 2020, Ch. 7, pp. 231-282, Elsevier, Amsterdam, see also}$.
Issue Date:2021-06-23
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Date Available in IDEALS:2021-09-24

This item appears in the following Collection(s)

Item Statistics