Spectroscopic Identification of Isomeric 2,3- and 2,6-Dimethylbenzyl Radicals in Corona Discharge

Bulletin of the Korean chemical society

Sang Kuk Lee¹  Young Wook Yoon¹ 

关键词: Spectroscopy;    Vibronic spectrum;    Dimethylbenzyl radicals;    1;    2;    3-Trimethylbenzene;    Corona discharge;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 摘 要 】

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.

【 授权许可】

Unknown