Physical Chemistry, Short talk
PC-026

High Resolution Infrared Spectroscopy of Monodeuterated Ethylene Oxide c-C2DH3O: Analysis of the Infrared Spectrum of several Ring Deformation and Stretching Fundamentals

K. Keppler1, S. Albert1, Z. Chen2,1, C. Manca Tanner1, V. Schurig3, J. Stohner4, O. Trapp5, M. Quack1*
1Laboratorium für Physikalische Chemie, ETH Zürich, CH-8093 Zürich, Switzerland, 2College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000, China, 3Institut für Organische Chemie, Eberhard-Karls-Universität Tübingen, D-72076 Tübingen, Germany, 4Institute for Chemistry & Biotechnology ICB, Zürich University of Applied Sciences ZHAW, CH-8820 Wädenswil, Switzerland, 5Department Chemie, Ludwig-Maximilians-Universität, D-81377 München, Germany

Monodeuterated ethylene oxide c-C2DH3O (D1-Oxirane), is a small cyclic molecule, an asymmetric top and an excellent example of a simple isotopically chiral molecule. Normal oxirane (c-C2H4O) has been detected in SgR B2N [1]. Several ro-vibrational bands of the parent species have been examined by other investigators [2]. Only a few lines of D1-Oxirane have previously been analysed in the microwave region [3] up to 70 GHz. The rotational constants of D1-oxirane have been calculated ab initio [4]. We have obtained an extensive analysis of our new results [5] including ground state constants and energy levels obtained from the analysis of the rotational spectrum of D1-oxirane from 65-119 GHz using our GHz spectrometer [6] and in the 0.75-2.4 THz range measured with our FTIR setup [7] at the Swiss Light Source. Here we report the infrared spectrum recorded at a resolution of 0.0015 cm-1 using the Bruker IFS HR ZP2001 Zürich prototype spectrometer [8]. Spectroscopic parameters for the vibrational ground state and the ν12 and ν13 fundamentals (ν12 = 896.025 cm-1 and ν13 = 837.354 cm-1) have been determined. We have expanded the range of study into the region of the stretching fundamental vibrations near 3000 cm-1 and shall present first results of this analysis. Our results will be discussed in relation to isotopic chirality and parity violation, as they relate to monofluorooxirane [9] and in the broader context of fundamental symmetries and symmetry violations [10].

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