Reassignment of isomeric dimethylbenzyl radicals generated by corona discharge of 1,2,4-trimethylbenzene

Hyeon Geun Ahn, Gi Woo Lee, Tae Kyu Kim, Sang Kuk Lee

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Isomeric dimethylbenzyl radicals were identified by analysis of the vibronic emission spectrum recorded from the corona excited supersonic expansion through a pinhole-type glass nozzle of precursor 1,2,4-trimethylbenzene seeded in a large amount of carrier gas helium. The visible spectrum showed several vibronic bands reflecting the characteristics of the band shape of each isomer generated. An analysis based on monosubstituted methylbenzyl radicals confirmed that all three of the dimethylbenzyl isomers were formed in the corona discharge of precursor as a result of the removal of a hydrogen atom from the methyl group at the different substitution position. For the three isomeric products, the D1 → D0 electronic transition and the vibrational mode frequencies in the ground electronic state were determined by comparing with those from both an ab initio calculation and the known data of the precursor.

Original languageEnglish
Pages (from-to)2341-2345
Number of pages5
JournalBulletin of the Korean Chemical Society
Volume29
Issue number12
DOIs
Publication statusPublished - 2008 Jan 1

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Isomers
Helium
Electronic states
Hydrogen
Nozzles
Substitution reactions
Gases
Glass
Atoms
pseudocumene

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

Cite this

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abstract = "Isomeric dimethylbenzyl radicals were identified by analysis of the vibronic emission spectrum recorded from the corona excited supersonic expansion through a pinhole-type glass nozzle of precursor 1,2,4-trimethylbenzene seeded in a large amount of carrier gas helium. The visible spectrum showed several vibronic bands reflecting the characteristics of the band shape of each isomer generated. An analysis based on monosubstituted methylbenzyl radicals confirmed that all three of the dimethylbenzyl isomers were formed in the corona discharge of precursor as a result of the removal of a hydrogen atom from the methyl group at the different substitution position. For the three isomeric products, the D1 → D0 electronic transition and the vibrational mode frequencies in the ground electronic state were determined by comparing with those from both an ab initio calculation and the known data of the precursor.",
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Reassignment of isomeric dimethylbenzyl radicals generated by corona discharge of 1,2,4-trimethylbenzene. / Ahn, Hyeon Geun; Lee, Gi Woo; Kim, Tae Kyu; Lee, Sang Kuk.

In: Bulletin of the Korean Chemical Society, Vol. 29, No. 12, 01.01.2008, p. 2341-2345.

Research output: Contribution to journalArticle

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AU - Lee, Gi Woo

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AB - Isomeric dimethylbenzyl radicals were identified by analysis of the vibronic emission spectrum recorded from the corona excited supersonic expansion through a pinhole-type glass nozzle of precursor 1,2,4-trimethylbenzene seeded in a large amount of carrier gas helium. The visible spectrum showed several vibronic bands reflecting the characteristics of the band shape of each isomer generated. An analysis based on monosubstituted methylbenzyl radicals confirmed that all three of the dimethylbenzyl isomers were formed in the corona discharge of precursor as a result of the removal of a hydrogen atom from the methyl group at the different substitution position. For the three isomeric products, the D1 → D0 electronic transition and the vibrational mode frequencies in the ground electronic state were determined by comparing with those from both an ab initio calculation and the known data of the precursor.

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