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University of Illinois Urbana-Champaign
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13C mono-substituted isotopologues of propyne (H3CCCH): Investigating the acetylenic CH stretch perturbation
Doney, Kirstin D.
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https://hdl.handle.net/2142/104492
Description
Title
13C mono-substituted isotopologues of propyne (H3CCCH): Investigating the acetylenic CH stretch perturbation
Author(s)
Doney, Kirstin D.
Contributor(s)
Linnartz, Harold
Zhao, Dongfeng
Issue Date
2019-06-17
Keyword(s)
Vibrational structure/frequencies
Date of Ingest
2019-07-15T22:17:02Z
2020-01-25T19:30:27Z
Abstract
"The acetylenic CH stretch ($\nub{1}$) fundamental band of propyne is known to have a ""double-crossing"" type perturbation that shifts the $K’$-subbands out of normal order. To further investigate this perturbation, we present a combined experimental and \textit{ab initio} study on the jet-cooled high-resolution infrared spectra of the $\nub{1}$ fundamental band of the three mono-substituted $^{13}$C isotopologues of propyne: $^{13}$CH$_3$$^{12}$C$\equiv$$^{12}$CH, $^{12}$CH$_3$$^{13}$C$\equiv$$^{12}$CH, and $^{12}$CH$_3$$^{12}$C$\equiv$$^{13}$CH. The experimental spectra are recorded using continuous wave cavity ringdown spectroscopy (cw-CRDS), with the isotopologues produced at natural abundance in a continuous supersonic expansion of regular propyne diluted in argon and helium. The $K’$ = 0 and 1 subbands of all three isotopologues are measured near 3330~cm$^{-1}$.\footnote{K.D. Doney \textit{et al.}, J. Phys. Chem. A 122 (2), 582 (2018)}"
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