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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 34, Number 3
BKCSDE 34(3)
March 20, 2013 

Spectroscopic Identification of Isomeric 2,3- and 2,6-Dimethylbenzyl Radicals in Corona Discharge
Young Wook Yoon, Sang Kuk Lee*
Spectroscopy, Vibronic spectrum, Dimethylbenzyl radicals, 1,2,3-Trimethylbenzene, Corona discharge
We resolved the controversial assignments of the visible vibronic bands observed from corona discharge of 1,2,3-trimethylbenzene. The vibronic bands belonging to the jet-cooled 2,6-dimethylbenzyl radical were clearly identified from the spectrum observed from corona discharge of 2,6-dimethylbenzyl chloride. After subtracting the bands of the 2,6-isomer from the spectrum observed from corona discharge of 1,2,3- trimethylbenzene, the vibronic bands of the 2,3-isomer were also identified. By comparing data with the known vibrational data of 1,2,3-trimethylbenzene and the results of ab initio calculations, we determined the electronic energies of the D1 → D0 transitions and vibrational mode frequencies in the ground electronic states of the 2,3- and 2,6-dimethylbenzyl radicals.
763 - 767
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