Combined Experimental and Theoretical Investigation of the Reactivity of CH3O2 and C2H5O2

Combined Experimental and Theoretical Investigation of the Reactivity of CH3O2 and C2H5O2
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Book Synopsis Combined Experimental and Theoretical Investigation of the Reactivity of CH3O2 and C2H5O2 by : Eszter Pongráczné Faragó

Download or read book Combined Experimental and Theoretical Investigation of the Reactivity of CH3O2 and C2H5O2 written by Eszter Pongráczné Faragó and published by . This book was released on 2015 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Peroxy radicals are key intermediates in atmospheric chemistry. Their reaction schemas are different depending if they are formed in a polluted environment (high NOx concentration) or in a clean environment (low NOx concentration). This thesis deals with the reaction between peroxy radicals and OH radicals in order to better understand the reaction scheme in clean environments (above the oceans or tropical forest). Kinetic studies were carried out using laser photolysis coupled to detection of radical species by laser induced fluorescence technique (LIF, for OH), and continuous wave- cavity ring-down spectroscopy (cw-CRDS, for peroxy radicals). Moreover, the reaction mechanisms of these reactions were determined by quantum chemical methods, such as Gaussian-4 (G4), complete basis set model (CBS) and CHEAT1. Two systems were studied with the above mentioned techniques: CH3O2 + OH and C2H5O2 + OH. The rate constant and reaction mechanism of both reactions were determined for the first time. In addition, the cw-CRDS technique was applied to measure the absorption spectrum of the CH3O2 and CH3I in the near infrared region and to determine the absorption cross sections of a few selected lines of the methyl peroxy radical. Furthermore, a method test was carried out, which ensured the appropriate quantum chemical method for these radical-radical reactions.


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