VIBRATION-TORSION-ROTATION INTERACTIONS IN METHYL MERCAPTAN CH3SH: vt=3,4 TORSIONAL, C–S STRETCHING, AND CSH BENDING VIBRATIONAL STATES.

Ilyushin, V.

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Title

VIBRATION-TORSION-ROTATION INTERACTIONS IN METHYL MERCAPTAN CH3SH: vt=3,4 TORSIONAL, C–S STRETCHING, AND CSH BENDING VIBRATIONAL STATES.

Author(s)

Ilyushin, V.

Contributor(s)

Bekhtereva, Elena ; Sydow, Christian ; Maul, Christof ; Bauerecker, Sigurd ; Schlemmer, Stephan ; Lewen, Frank ; Müller, Holger S. P.; Zakharenko, Olena ; Alekseev, E. A.; Bakhmat, Yan

Issue Date

22-Jun-20

Keyword(s)

Mini-symposium: Large Amplitude Motions

Abstract

"We present\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 P686a).} the results of a joint analysis of the MIR, FIR, and microwave spectra of the \nub{8} vibrational state (C-S stretch) near 710 \wn, the \nub{7} vibrational state (CSH bend) near 802 \wn, and torsional stack of levels up to fourth excited torsinal state of methyl mercaptan \chem{CH_3SH}. The analysis employs a new program which was recently developed for fitting several isolated small-amplitude fundamentals embedded in a pure torsional bath in molecules like methyl mercaptan, in which the frame has C$_{s}$ symmetry and the methyl top has C$_{3v}$ symmetry. This is the first attempt to perform an analysis of two small amplitude vibrations interacting with torsional bath of states and each other in a molecule with torsional large amplitude motion with this new program. The analysis gave us an opportunity to assign for the first time the pure rotational (microwave) transitions of the \nub{7} vibrational state (CSH bend). In our analysis we used data available in the literature [1,2,3] as well as the results of the new measurements from Kharkiv, K{\""o}ln, and Braunschweig. In the talk the details of this new study will be discussed. [1] L.-H. Xu, R. M. Lees, G. T. Crabbe, et al., J. Chem. Phys. 137, 104313 (2012). [2] R.M. Lees, Li-Hong Xu, B.E. Billinghurst, J. Mol. Spectrosc. 352, 30-38 (2016). [3] R.M. Lees, Li-Hong Xu, B.E. Billinghurst, J. Mol. Spectrosc. 319, 45-56 (2018)."

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

English

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