University of Illinois Urbana-Champaign

First high resolution IR spectra of 2,2-D2-propane. The ν15 (B1) A-type band near 954.709 cm−1. Determination of ground and upper state constants

Gjuraj, Daniel

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929978.pptx

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https://hdl.handle.net/2142/96928

Description

Title
First high resolution IR spectra of 2,2-D2-propane. The ν15 (B1) A-type band near 954.709 cm−1. Determination of ground and upper state constants
Author(s)
Gjuraj, Daniel
Contributor(s)
  • Billinghurst, Brant E.
  • Flaud, Jean-Marie
  • Lafferty, Walter
  • Grzywacz, Robert
  • Daunt, S.J.
Issue Date
2017-06-20
Keyword(s)
Small molecules
Date of Ingest
  • 2017-07-27T20:15:17Z
  • 2018-01-29T23:03:46Z
Abstract
As part of our project on the study of isotopologues of propane we have taken the spectra of the 2-D and 2,2-D$_2$ substituted species. There have been no studies of these species since the early IR studies. footnote{Friedman & Turkevich, J. Chem. Phys. textbf{17}, 1012 ff. (1949); McMurry, Thornton & Condon, J. Chem. Phys. textbf{17}, 918 ff. (1949).} footnote{McMurry & Thornton, J. Chem. Phys. textbf{19}, 1014 ff.(1951).} footnote{Gayles & King, Spectrochim. Acta textbf{21}, 543 ff.(1965).} footnote{Kondo & Saeki, Spectrochim. Acta textbf{29A}, 735 ff. (1973).} _x000d_ _x000d_ We recorded high resolution ($Delta$$nu$ = 0.0009 wn) FTS data on the Canadian Light Source Far-IR beamline. _x000d_ The spectra of all bands of both species in the region examined (500 - 1250 wn) show torsionally perturbed lines, all but one band appearing globally perturbed. Virtually all bands were not amenable to analysis at present except for the nub{15} (B$_{1}$) A-type band centered at 954.709 wn. One can still see a few perturbed lines with torsional components but overall most lines were single and could be readily assigned using traditional methods. The spectrum is modelled well using PGOPHER.footnote{Western, J. Quant. Spectrosc. Rad. Transf. textbf{186}, 221 ff. (2017).} No MW determined GS constants were available so we have analyzed about 3500 levels to determine both ground state and upper state rotational constants. _x000d_ _x000d_ _x000d_
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
eng
Permalink
http://hdl.handle.net/2142/96928
DOI
https://doi.org/10.15278/isms.2017.TK08
Copyright and License Information
Copyright 2017 Daniel Gjuraj

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Abstracts & Presentations - 2017 International Symposium on Molecular Spectroscopy PRIMARY