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Issue 18, 2010
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High-resolution cavity ringdown spectroscopy of the jet-cooled propyl peroxy radical C3H7O2

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Abstract

We have obtained high resolution, partially rotationally resolved, jet-cooled cavity ringdown spectra of the origin band of the Ã[X with combining tilde] electronic transition of two of the five conformers (G1G2 and G1T2) of the normal propyl peroxy radical, C3H7O2, as well as the G conformer of the iso-propyl peroxy radical isomer. This transition, located in the near infrared, was studied using a narrow band laser source (≲250 MHz) and a supersonic slit-jet expansion coupled with an electric discharge allowing us to obtain rotational temperatures of about 15 K. All three spectra have been successfully fitted using an evolutionary algorithm approach with a Hamiltonian including rotational and spin-rotational terms. Excellent agreement with the experimental spectra was obtained by fitting seven molecular parameters in each of the ground and the first excited electronic states as well as the band origin of the electronic transition. These parameters are compared with the results from electronic structure calculations. This analysis confirms unambiguously the previous room-temperature conformer assignments that were based upon quantum chemistry calculations.

Graphical abstract: High-resolution cavity ringdown spectroscopy of the jet-cooled propyl peroxy radical C3H7O2

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Publication details

The article was received on 18 Nov 2009, accepted on 12 Feb 2010 and first published on 18 Mar 2010


Article type: Paper
DOI: 10.1039/B924323B
Phys. Chem. Chem. Phys., 2010,12, 4773-4782

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    High-resolution cavity ringdown spectroscopy of the jet-cooled propyl peroxy radical C3H7O2

    G. M. P. Just, P. Rupper, T. A. Miller and W. L. Meerts, Phys. Chem. Chem. Phys., 2010, 12, 4773
    DOI: 10.1039/B924323B

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