Matrix Isolation and Computational Studies of the Photolysis of Dihaloethanes: Probing the Pathways Leading to Radical and Molecular Products

Details Matrix Isolation and Computational Studies of the Photolysis of Dihaloethanes: Probing the Pathways Leading to Radical and Molecular Products Matrix Isolation and Computational Studies of the Photolysis of Dihaloethanes: Probing the Pathways Leading to Radical and Molecular Products

Jun 2010

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010mss..confetd02k&link_type=abstract

"International Symposium On Molecular Spectroscopy, 65th Meeting, Held 21-25 June, 2010 at Ohio State University. http://molspec

Statistics

Computation

Matrix/Condensed Phase

Scientific paper

The importance of haloalkanes in atmospheric chemistry is well appreciated. In this talk, we will report on matrix isolation and computational studies of the photolysis of dihaloethanes following selected wavelength laser irradiation. The photolysis products are characterized by matrix isolation infrared and UV/Visible spectroscopy, supported by ab initio calculations. Results will be reported for the dibromo- and diiodoethanes. In our initial experiments, pulsed deposition of 1,2-dibromoethane:Ar samples (1:1000) onto a KBr window at 5 K yielded almost exclusively the anti-conformer (30:1 anti:gauche). Irradiation of this conformer at 220 nm yielded infrared absorptions assigned to: a) the gauche-conformer, b) the 2-bromoethyl radical, and c) the ethylene-Br2 complex, which was confirmed in separate experiments where the complex was formed by deposition of ethylene:Br2:Ar (1:1:1000) samples. The observed infrared and UV/Visible absorptions of these species are in excellent agreement with computational predictions. We will report on related studies of 1,1-dibromoethane and the corresponding diiodoethanes, with emphasis on the search for the bridged C2H4I radical.

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