Fourier Transform Microwave Spectra Of 1-pentanethiol-d

Kuze, Nobuhiko

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https://hdl.handle.net/2142/116786 Copy

Description

Title

Fourier Transform Microwave Spectra Of 1-pentanethiol-d

Author(s)

Kuze, Nobuhiko

Contributor(s)

Kawashima, Yoshiyuki

Issue Date

2022-06-22

Keyword(s)

Conformers and isomers

Abstract

We have been observing the rotational spectra of the 1-pentanethiol (1-C$_5$SH; C(5)H$_3$C(4)H$_2$-C(3)H$_2$C(2)H$_2$C(1)H$_2$SH) by Fourier transform microwave (FTMW) spectroscopy. So far, eight conformers of the normal species for 1-C$_5$SH have been identified by FTMW spectroscopy and the quantum chemical calculations\footnote{ K. Suzuki, N. Kuze and Y. Kawashima, ISMS, WI05 (2019).}. They are {\it TTTg}, {\it TTTt}, {\it TTGg}, {\it TTGg’}, {\it TGTg}, {\it TGTg’}, {\it GTTg}, and {\it GTTg’}. The nomenclature of the conformer such as {\it TTGg’} is based on the conformation of the molecular skeleton around the C(4)-C(3), C(3)-C(2), C(2)-C(1), and C(1)-S axis, respectively. This means that {\it TTGg’} represents trans ({\it T}), trans ({\it T}), clockwise gauche ({\it G}) and anti-clockwise gauche ({\it g’}) conformers. In this work, we observed the isotopologues the 1-pentanethiol such as the deuterated species in the thiol group, 1-C$_5$SD. The rotational spectral lines of the seven conformers in 1- C$_5$SD, except for {\it TTTt}, were assigned as in 1-C$_5$SH. In the {\it TTTg} conformer of 1-C$_5$SH, characteristic splittings were observed in the rotational spectral lines of the {\it c}-type transitions. They are due to the tunneling splitting by the torsional motion of the SH group. Therefore, we focused on the line spllitings in the {\it c}-type transition of the {\it TTTg} conformer of 1-C$_5$SD and compared our results with data from 1-C$_5$SH and related compounds, 1-butanethiol\footnote{ Y. Kawashima, Y. Tanaka, T. Uzuyama, and E. Hirota, {\it J. Phys. Chem. A}, 125, 1166-1183 (2021).}, 1-propanethiol and 1-ethanethiol.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Handle URL

https://hdl.handle.net/2142/116786

DOI

https://doi.org/10.15278/isms.2022.WL01

Copyright and License Information

Copyright 2022 held by the authors

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