Jet-Cooled ~A-~X Spectra of the β-HYDROXYETHYLPEROXY and β-HYDROXYETHYLPEROXY-OD Radicals

Details Jet-Cooled ~A-~X Spectra of the β-HYDROXYETHYLPEROXY and β-HYDROXYETHYLPEROXY-OD Radicals Jet-Cooled ~A-~X Spectra of the β-HYDROXYETHYLPEROXY and β-HYDROXYETHYLPEROXY-OD Radicals

Jun 2010

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010mss..confemi08c&link_type=abstract

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

Computer Science

Radicals And Ions

Scientific paper

The β-hydroxyethylperoxy (HOCH_2CH_2OO, β-HEP) radical in the atmosphere arises from the reaction of ethene (CH_2CH_2) and hydroxyl radical (OH), followed by the reaction with oxygen (O_2). It is also an important intermediate in the oxidation of ethanol, a component of automotive fuel. High-resolution, jet-cooled cavity ring-down spectroscopy (resolution of Δν≈250MHz, considering the instrumental linewidth and the residual Doppler broadening) has been applied to observe the ~A-~X origin band of the most stable conformer of both β-HEP and mono-deuterated β-HEP (DOCH_2CH_2OO, β-HEP-OD). Broadened rotational contours are observed for both isotopologues, but more resolved structure is shown in the β-HEP-OD spectrum. The evolutionary algorithm approach is applied to analyze the spectra, which gives fitted rotational constants and the homogeneous linewidths for both isotopologues using an asymmetric-top model for the rotational Hamiltonian. Evidence corresponding to a narrower homogeneous linewidth in the β-HEP-OD spectra implies that the broad rotational contour of β-HEP likely involves the motion of the hydrogen of the OH group.

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