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

Description

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

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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