Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Spectroscopic Identification of Isomeric 2,3- and 2,6-Dimethylbenzyl Radicals in Corona Discharge

  • Received : 2012.10.08
  • Accepted : 2012.12.08
  • Published : 2013.03.20
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Abstract

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 $D_1{\rightarrow}D_0$ transitions and vibrational mode frequencies in the ground electronic states of the 2,3-and 2,6-dimethylbenzyl radicals.

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  1. Vibronic Assignments of Isomeric Trimethylbenzyl Radicals : Revisited vol.35, pp.3, 2013, https://doi.org/10.5012/bkcs.2014.35.3.737