FOURIER TRANSFORM MICROWAVE SPECTRA OF 1-PENTANETHIOL

Suzuki, Kojiro

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https://hdl.handle.net/2142/104316 Copy

Description

Title

FOURIER TRANSFORM MICROWAVE SPECTRA OF 1-PENTANETHIOL

Author(s)

Suzuki, Kojiro

Contributor(s)

Kawashima, Yoshiyuki ; Kuze, Nobuhiko

Issue Date

2019-06-19

Keyword(s)

Structure determination

Abstract

Rotational spectra of the 1-pentanethiol (1-C$_5$SH) were observed using a Fourier transform microwave spectrometer. Eight sets of the 1-C$_5$SH were assigned by combined with the quantum chemical calculations. The four Sets 1-4 of {\it a}-type {\it R}-branch transitions of 1-C$_5$SH were observed in diluted Ar. Another four Sets 5-8 of {\it a}-type transition were observed near the four Sets 1-4 in diluted Ne instead of Ar. The Set 1 has the most intense spectrum and small splittings due to the torsional motion of the SH group and the internal rotation of the CH$_3$ group of the {\it TTTg} conformer of the 1-C$_5$SH. In the case of 1-C$_5$SH there are four operations; the first generating operation is the relative orientation of CH$_3$ groups around the C(5)H$_3$C(4)H$_2$-C(3)H$_2$C(2)H$_2$C(1)H$_2$SH axis, leading to {\it gauche} and {\it trans} conformers, {\it G} or {\it T}, the second is around C(3)-C(2) axis and the third is around C(2)-C(1) axis, leading to {\it gauche} and {\it trans} conformers, {\it G}, {\it G’} or {\it T}, and the fourth is around C(1)-SH also leading to {\it gauche} and {\it trans} orientations, {\it g}, {\it g’} or {\it t}. For Set 2, {\it a}-, {\it b}-, and {\it c}-type transitions were observed and assigned as to {\it TTGg’} conformer. Only {\it a}-type transitions of the Sets 3 and 4 were observed. The obtained rotational constants of the Sets 3 and 4 agreed with the calculated values of the {\it TGTg}/{\it TGTg’} and {\it GTTg}/{\it GTTg’}, respectively. Comparing the obtained rotational constants with the quantum chemical calculations, the Sets 5 and 6 were assigned as to be {\it TTTt} and {\it TTGg}, respectively. Similarly Sets 3, 7, 4 and 8 were assigned as {\it TGTg’}, {\it TGTg}, {\it GTTg} and {\it GTTg’}, respectively.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/104316

DOI

10.15278/isms.2019.WI05

Copyright and License Information

Copyright 2019 Kojiro Suzuki

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