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Title:FIRST FAR-IR SPECTRA OF 2,2-D2-PROPANE: THE ν9 (A1) B-TYPE BAND NEAR 365.3508 cm−1. THE DETERMINATION OF GROUND AND UPPER STATE CONSTANTS.
Author(s):Gjuraj, Daniel
Contributor(s):Billinghurst, Brant E.; Flaud, Jean-Marie; Lafferty, Walter; Grzywacz, Robert; Daunt, Stephen J.
Subject(s):Small molecules
Abstract:Only old IR and no MW data exist for this molecule.\footnote{Friedman \& Turkevich, J. Chem. Phys. \textbf{17}, 1012 ff. (1949); McMurry, Thornton \& Condon, J. Chem. Phys. \textbf{17}, 918 ff. (1949); McMurry \& Thornton, J. Chem. Phys. \textbf{19}, 1014 ff. (1951).; Gayles \& King, Spectrochim. Acta \textbf{21}, 543 ff. (1965); Kondo \& Saeki, Spectrochim. Acta \textbf{29A}, 735 ff. (1973).} Last year we reported (2017 ISMS, TK08) on the \nub{20} (B$_{1}$) A-type band recorded in CLS Cycle 23 (Jan-May, 2016). This was the only band with easily assignable lines. Other bands were perturbed and not assignable at present. We assigned most of \nub{20} and rotational constants were determined for this molecule. Our \nub{20} data was limited in K and J values due to the pressure used and time limitations in that cycle. Also some small torsional perturbations may have affected the derived constants. From our recent studies \nub{9} bands appear unperturbed for the other $^{13}$C and D isotopologues. Therefore we recorded that band for 2,2-D$_{2}$-Propane in the Far-IR at higher pressures in new experiments. The spectrum of the \nub{9} (A$_{1}$) band (CCC bend) was recorded on the Far-IR beamline during CLS Cycle 27 (Jun-Dec, 2017). Spectra were recorded at 4.055 Torr ($\Delta$$\nu$ = 0.00096 cm-1) and 7.691 Torr ($\Delta$$\nu$ = 0.0020 cm-1) to see higher K and J transitions. An optical path of 72 m and a cell temperature of 265.75K were used. We assigned over 5900 lines with both traditional methods and the aid of the PGOPHER program of Colin Western.\footnote{C. Western, JQSRT \textbf{186}, 221 ff. (2017)} Lines up to K = 37 and J = 55 were assigned by using both pressure data sets. Improved rotational constants including the inertial and centrifugal distortional constants will be reported. This varied isotopic data should improve the r$_{0}$ structure.
Issue Date:06/20/18
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/100543
DOI:10.15278/isms.2018.WH11
Other Identifier(s):WH11
Date Available in IDEALS:2018-08-17
2018-12-12


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