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ANALYSIS OF HIGH RESOLUTION INFRARED SPECTRA OF 1,1-DICHLOROETHYLENE IN THE $500 - 1000$\ \wn\ RANGE

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/52336

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Title: ANALYSIS OF HIGH RESOLUTION INFRARED SPECTRA OF 1,1-DICHLOROETHYLENE IN THE $500 - 1000$\ \wn\ RANGE
Creators: Peebles, Rebecca A.; Peebles, Sean A.; Obenchain, Daniel A.
Issue Date: 2012
Abstract: The far infrared beamline of the Canadian Light Source synchrotron facility has been used to record three rotationally resolved vibrational bands of 1,1-dichloroethylene in the $500-1000$ cm$^{-1}$ range, at $0.00096$ cm$^{-1}$ resolution. These correspond, for the H$_2$C$=$C$^{35}$Cl$_2$ isotopologue, to an $a$-type band (CCl$_2$ antisymmetric stretch) at $796.0$ cm$^{-1}$, a $b$-type band (CCl$_2$ symmetric stretch) at $603.0$ cm$^{-1}$, and a $c$-type band (CH$_2$ wag) at $868.6$ cm$^{-1}$. Anharmonic frequency calculations at the MP2/6-311++G(2d,2p) level, combined with rotational and centrifugal distortion constants from a millimeter wave study of the ground state, nderline{\textbf {50a}}, (1995), 347-351.}, were an invaluable aid in facilitating the spectroscopic assignment for this asymmetric top (${\kappa} = -0.58$). Analysis of the $796$ cm$^{-1}$ band is nearly complete, giving well determined excited state rotational and centrifugal distortion constants. Results of this analysis and progress with analysis of the other two bands will be presented.
URI: http://hdl.handle.net/1811/52336
Other Identifiers: 2012-FB-12
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