Journal of Chemical Physics 2012-05-07

Spectroscopic identification of benzyl-type radicals generated by corona discharge of 2-chloro-4-fluorotoluene.

Chang Soon Huh, Young Wook Yoon, Sang Kuk Lee

Index: J. Chem. Phys. 136(17) , 174306, (2012)

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Abstract

By means of a technique of corona excited supersonic expansion coupled with a pinhole-type glass nozzle, we generated vibronically excited but jet-cooled benzyl-type radicals from precursor 2-chloro-4-fluorotoluene seeded in a large amount of inert carrier gas He. From an analysis of the visible vibronic emission spectrum, we found evidence of the formation of the 2-chloro-4-fluorobenzyl and 4-fluorobenzyl radicals. A possible pathway for the formation of these benzyl-type radicals is herein proposed. Also, the electronic energy in the D(1) → D(0) transition and the vibrational mode frequencies of the 2-chloro-4-fluorobenzyl radical in the ground electronic state were accurately determined, for the first time, by comparison with ab initio calculations and the known vibrational data of the precursor.