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

Permalink

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

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

6/20/2017

Keyword(s)

Small molecules

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

Language

English

Permalink

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

DOI

10.15278/isms.2017.TK08

Owning Collections