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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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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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