University of Illinois Urbana-Champaign

Propane Isotopologues: High Resolution Far-ir Synchrotron Spectra Of Propane-d7 (cd3-cdh-cd3) And Propane-d5 (ch3-cd2-cd3)

Daunt, Stephen J.

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RL06_1.pptx
5937.pdf

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https://hdl.handle.net/2142/116959

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Title
Propane Isotopologues: High Resolution Far-ir Synchrotron Spectra Of Propane-d7 (cd3-cdh-cd3) And Propane-d5 (ch3-cd2-cd3)
Author(s)
Daunt, Stephen J.
Contributor(s)
  • Grzywacz, Robert
  • Zhao, Jianbao
  • Billinghurst, Brant E.
  • Western, Colin
Issue Date
2022-06-23
Keyword(s)
Structure determination
Abstract
\begin{wrapfigure}{l}{0pt} \includegraphics[scale=0.3]{pic.eps} \end{wrapfigure} We continue our project of recording spectra and ro-ibrational analyses of propane isotopologues to determine ro-vibrational constants for this family of molecules. No MW, mm or sub-mm studies exist as of yet. IR/R spectra of propane-D$_{5}$ do not appear to have ever been reported on in the literature. There are only low/medium resolution data on the -D$_{7}$ species.\footnote{Gough, Murphy and Raghavachari, J.Chem. Phys. 87, 3332 (1987) and refs. therein} We acquired survey and high resolution (0.002-0.00096 \wn) synchrotron IR data at the CLS facility in Saskatoon for the -D$_{5}$ bands. We also now have preliminary values of its rotational constants from the B-type CCC bending mode near 332.7 \wn. For the -D$_{7}$ species we have preliminary analyses of the B-type \nub{14}(A') CCC bend near 305.24 \wn and the \nub{13} (A') C-type band near 579.34 \wn. The figure at the left is a part of the R-side of the \nub{13} band for Propane-D$_{7}$. Observed spectrum taken at 0.00096\wn resolution plotted above the PGOPHER\footnote{C. M. Western, B. E. Billinghurst PCCP 21, 13986 (2019) and refs. therein.} simulation.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
eng
Handle URL
https://hdl.handle.net/2142/116959
DOI
https://doi.org/10.15278/isms.2022.RL06
Copyright and License Information
Copyright 2022 held by the authors

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Abstracts & Presentations - 2022 International Symposium on Molecular Spectroscopy PRIMARY