Fourier transform microwave spectrum of cis-3-hexenal
Yoshizawa, Seiya
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https://hdl.handle.net/2142/104317
Description
Title
Fourier transform microwave spectrum of cis-3-hexenal
Author(s)
Yoshizawa, Seiya
Contributor(s)
Kawashima, Yoshiyuki
Kuze, Nobuhiko
Issue Date
2019-06-19
Keyword(s)
Structure determination
Abstract
The {\it cis}-3-hexenal (c3-HA) is known as an odor molecule of grass and that the c3-HA easily isomerizes to {\it trans}-2-hexenal (t2-HA). The ground-state rotational spectrum of the c3-HA was observed and analyzed by molecular beam Fourier transform microwave spectroscopy combined with quantum chemical calculations. The sample of the c3-HA is a little unstable in the metal nozzle because the observed spectrum of the c3-HA was getting weaker and then the rotational spectra of the t2-HA appeared. We identified one conformer: the {\it cis}-{\it S'GS'}, where {\it S', G,} and {\it S'} denote the skew' around the OC(1)-C(2)H2 axis, gauche around the C(1)C(2)-C(3)C(4) axis, and skew' around the C(3)C(4)-C(5)C(6) axis, respectively, for which {\it a}-type, {\it b}-type, and {\it c}-type transitions were observed.
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