Advances in global modelling of methyl mercaptan CH332SH torsion-rotation spectrum

Ilyushin, V.

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https://hdl.handle.net/2142/96916 Copy

Description

Title

Advances in global modelling of methyl mercaptan CH332SH torsion-rotation spectrum

Author(s)

Ilyushin, V.

Contributor(s)

• Lees, Ronald M.
• Xu, Li-Hong
• Schlemmer, Stephan
• Lewen, Frank
• Müller, Holger S.P.
• Zakharenko, Olena
• Armieieva, Iuliia

Issue Date

2017-06-20

Keyword(s)

• Large amplitude motions
• Internal rotation

Abstract

A progress in the analysis of the methyl mercaptan CH$_{3}$SH spectrum in its ground, first and second excited torsional states is reported footnote{ This work was done under support of the Volkswagen foundation. The assistance of Science and Technology Center in Ukraine is acknowledged (STCU partner project P686).}. The available in the literature data footnote{ L.-H. Xu, R. M. Lees, G. T. Crabbe, J. A. Myshrall, H. S. P. Müller, C. P. Endres, O. Baum, F. Lewen, S. Schlemmer, K. M. Menten, and B. E. Billinghurst J. Chem. Phys. 137, 104313 (2012).} were reanalyzed using RAM36 code footnote{ V. Ilyushin, Z. Kisiel, L. Pszczółkowski, H. Mäder, J. T. Hougen // J. Mol. Spectrosc. Vol. 259, pp. 26-38 (2010). } with the main improvement achieved for the root mean square deviation of the microwave data. The updated Hamiltonian model was applied to the further assignments of the methyl mercaptan spectrum using the records obtained in the THz region in the previous study$^{b}$ . Also a new measurement campaign in subTHz frequency range is planned for the nearest future using a set of spectrometers available in Köln. In the talk the details of this new study will be discussed.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/96916

DOI

https://doi.org/10.15278/isms.2017.TI04

Copyright and License Information

Copyright 2017 V. Ilyushin

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