University of Illinois Urbana-Champaign

First high resolution IR spectra of 2-13C-propane. The ν9 B-type band near 366.767 cm−1and the ν26 C-type band near 746.615 cm−1. Determination of ground and upper state constants

Daunt, S.J.

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2387.pdf
876029.pptx

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https://hdl.handle.net/2142/96804

Description

Title
First high resolution IR spectra of 2-13C-propane. The ν9 B-type band near 366.767 cm−1and the ν26 C-type band near 746.615 cm−1. Determination of ground and upper state constants
Author(s)
Daunt, S.J.
Contributor(s)
  • Billinghurst, Brant E.
  • Flaud, Jean-Marie
  • Lafferty, Walter
  • Grzywacz, Robert
Issue Date
2017-06-23
Keyword(s)
Planetary atmospheres
Date of Ingest
  • 2017-07-27T20:14:52Z
  • 2018-01-29T23:04:07Z
Abstract
This is the first report in a project to record high resolution IR data of the $^{13}$C and D substituted isotopologues of propane._x000d_ _x000d_ In this talk we will give details on the first high resolution ($Delta$$nu$ = 0.0009 wn) IR investigation of 2-$^{13}$C-propane. Spectra of the CCC skeletal bending mode near 336.767 wn (B-type) and the wagging mode near 746.615 wn (C-type) were recorded using the FTS on the Far-IR beamline of the Canadian Light Source (CLS). The spectra were assigned both traditionally and with the aid of the PGOPHER program of Colin Western.footnote{C. Western, J. Quant. Spectrosc. & Rad. Transf. textbf{186}, 221 ff. (2017).} The only available MW data on this molecule are the six K =0 J lines from Lide.footnote{Lide, J.Chem. Phys. textbf{33}, p.1514ff. (1960).} We therefore had to use the present data to determine a new set of ground state constants that included centrifugal distortion terms for this molecule. We compare these experimentally determined values with the recent textit{ab initio} values of Villa, Senent & Carvajal.footnote{Villa, Senent & Carvajal, PCCP textbf{15}, 10258 (2013).} Upper state constants for both bands have been found that provide a good simulation of the spectra. The hope is that this data will be useful in identifying isotopic propane lines in Titan and other astrophysical objects._x000d_
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
eng
Permalink
http://hdl.handle.net/2142/96804
DOI
https://doi.org/10.15278/isms.2017.FA04
Copyright and License Information
Copyright 2017 S.J. Daunt

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Abstracts & Presentations - 2017 International Symposium on Molecular Spectroscopy PRIMARY