Does the Gaseous Aniline Cation Isomerize to Methylpyridine Cations Before Dissociation? 


Vol. 34,  No. 11, pp. 3249-3252, Nov.  2013
10.5012/bkcs.2013.34.11.3249


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  Abstract

We have explored the potential energy surface for the isomerization of the aniline (AN) radical cation to the 2-, 3-, and 4-methylpyridine (picoline, MP) radical cations using G3 model calculations. The isomerization may occur through the 1H-azepine (7-aza-cycloheptatriene) radical cation. A quantitative kinetic analysis has been performed using the Rice-Ramsperger-Kassel-Marcus theory, based on the potential energy surface. The result shows that isomerization between AN+• and each MP+• hardly occurs before their dissociations.

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  Cite this article

[IEEE Style]

J. C. Choe, "Does the Gaseous Aniline Cation Isomerize to Methylpyridine Cations Before Dissociation?," Bulletin of the Korean Chemical Society, vol. 34, no. 11, pp. 3249-3252, 2013. DOI: 10.5012/bkcs.2013.34.11.3249.

[ACM Style]

Joong Chul Choe. 2013. Does the Gaseous Aniline Cation Isomerize to Methylpyridine Cations Before Dissociation?. Bulletin of the Korean Chemical Society, 34, 11, (2013), 3249-3252. DOI: 10.5012/bkcs.2013.34.11.3249.

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ISSN(Print) 0253-2964
ISSN(Online) 1229-5949