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Spectroscopic Identification of Benzyl-Type Radicals Generated by Corona Discharge of 2-chloro-4-fluorotoluene

Spectroscopic Identification of Benzyl-Type Radicals Generated by Corona Discharge of 2-chloro-4-fluorotoluene

Chang Soon Huh, Young Wook Yoon, Sang Kuk Lee

J Chem Phys. 2012 May 7;136(17):174306.

PMID: 22583229

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.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP452733	2-Chloro-4-fluorotoluene		452-73-3	Price

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