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Does the Gaseous Aniline Cation Isomerize to Methylpyridine Cations Before Dissociation?
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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Choe, Joong Chul | - |
| dc.date.accessioned | 2024-09-25T03:31:38Z | - |
| dc.date.available | 2024-09-25T03:31:38Z | - |
| dc.date.issued | 2013-11-20 | - |
| dc.identifier.issn | 0253-2964 | - |
| dc.identifier.issn | 1229-5949 | - |
| dc.identifier.uri | https://scholarworks.dongguk.edu/handle/sw.dongguk/23635 | - |
| dc.description.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(+center dot) and each MP+center dot hardly occurs before their dissociations. | - |
| dc.format.extent | 4 | - |
| dc.language | 영어 | - |
| dc.language.iso | ENG | - |
| dc.publisher | WILEY-V C H VERLAG GMBH | - |
| dc.title | Does the Gaseous Aniline Cation Isomerize to Methylpyridine Cations Before Dissociation? | - |
| dc.type | Article | - |
| dc.publisher.location | 독일 | - |
| dc.identifier.doi | 10.5012/bkcs.2013.34.11.3249 | - |
| dc.identifier.scopusid | 2-s2.0-84889054988 | - |
| dc.identifier.wosid | 000327689400020 | - |
| dc.identifier.bibliographicCitation | BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.34, no.11, pp 3249 - 3252 | - |
| dc.citation.title | BULLETIN OF THE KOREAN CHEMICAL SOCIETY | - |
| dc.citation.volume | 34 | - |
| dc.citation.number | 11 | - |
| dc.citation.startPage | 3249 | - |
| dc.citation.endPage | 3252 | - |
| dc.type.docType | Article | - |
| dc.identifier.kciid | ART001819602 | - |
| dc.description.isOpenAccess | Y | - |
| dc.description.journalRegisteredClass | sci | - |
| dc.description.journalRegisteredClass | scie | - |
| dc.description.journalRegisteredClass | scopus | - |
| dc.description.journalRegisteredClass | kci | - |
| dc.relation.journalResearchArea | Chemistry | - |
| dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
| dc.subject.keywordPlus | MOLECULAR ION | - |
| dc.subject.keywordPlus | RESOLVED PHOTODISSOCIATIONS | - |
| dc.subject.keywordPlus | TOLUENE | - |
| dc.subject.keywordAuthor | G3//B3LYP calculation | - |
| dc.subject.keywordAuthor | RRKM calculation | - |
| dc.subject.keywordAuthor | Kinetics | - |
| dc.subject.keywordAuthor | Reaction pathway | - |
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Related Researcher
- Choe, Joong Chul
- College of Natural Science (Department of Chemistry)