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Article: Trans-cis isomerization of 4-(2-(9-anthryl)vinyl)pyridine. Molecular structures and 1H NMR kinetic studies

TitleTrans-cis isomerization of 4-(2-(9-anthryl)vinyl)pyridine. Molecular structures and 1H NMR kinetic studies
Authors
KeywordsAnthracenes
Isomerization
Kinetics
X-ray crystal structures
Issue Date1999
PublisherZhongguo Kexueyuan, Shanghai Youji Huaxue Yanjiusuo. The Journal's web site is located at http://www.sioc-journal.cn/zghx/index_en.asp
Citation
Chinese Journal Of Chemistry, 1999, v. 17 n. 2, p. 100-107 How to Cite?
AbstractBoth cis- and trans-isomers of 4-(2-(9-anthryl)vinyl)pyridine were isolated and their molecular structures established by X-ray crystallographic method. Variable temperature 1H NMR spectroscopy was used to study the trans to cis isomerization of the title compound. The kinetic study of the reaction was based on the ratio of the NMR integration heights in toluene-d8 of the double doublet due to the cis-isomer at δ 8.51 to that of the multiplet at δ 8. 15 which was kept constant during the whole experiment. The isomerization process was found to be first order and the Arrhenius activation parameters Ea , In A , Δ H≠ and Δ S≠ were calculated as 27.84 kJ/mol, 6.71, 25.23 kJ/mol and - 197.89 J/(K·mol), respectively. Besides, conformational analyses of both compounds based on molecular modelling were carried out and the results were used to compare with the experimental data.
Persistent Identifierhttp://hdl.handle.net/10722/69274
ISSN
2015 Impact Factor: 1.872
2015 SCImago Journal Rankings: 0.441
References

 

DC FieldValueLanguage
dc.contributor.authorChoi, YYen_HK
dc.contributor.authorWong, WYen_HK
dc.contributor.authorWong, WTen_HK
dc.date.accessioned2010-09-06T06:12:09Z-
dc.date.available2010-09-06T06:12:09Z-
dc.date.issued1999en_HK
dc.identifier.citationChinese Journal Of Chemistry, 1999, v. 17 n. 2, p. 100-107en_HK
dc.identifier.issn1001-604Xen_HK
dc.identifier.urihttp://hdl.handle.net/10722/69274-
dc.description.abstractBoth cis- and trans-isomers of 4-(2-(9-anthryl)vinyl)pyridine were isolated and their molecular structures established by X-ray crystallographic method. Variable temperature 1H NMR spectroscopy was used to study the trans to cis isomerization of the title compound. The kinetic study of the reaction was based on the ratio of the NMR integration heights in toluene-d8 of the double doublet due to the cis-isomer at δ 8.51 to that of the multiplet at δ 8. 15 which was kept constant during the whole experiment. The isomerization process was found to be first order and the Arrhenius activation parameters Ea , In A , Δ H≠ and Δ S≠ were calculated as 27.84 kJ/mol, 6.71, 25.23 kJ/mol and - 197.89 J/(K·mol), respectively. Besides, conformational analyses of both compounds based on molecular modelling were carried out and the results were used to compare with the experimental data.en_HK
dc.languageengen_HK
dc.publisherZhongguo Kexueyuan, Shanghai Youji Huaxue Yanjiusuo. The Journal's web site is located at http://www.sioc-journal.cn/zghx/index_en.aspen_HK
dc.relation.ispartofChinese Journal of Chemistryen_HK
dc.subjectAnthracenesen_HK
dc.subjectIsomerizationen_HK
dc.subjectKineticsen_HK
dc.subjectX-ray crystal structuresen_HK
dc.titleTrans-cis isomerization of 4-(2-(9-anthryl)vinyl)pyridine. Molecular structures and 1H NMR kinetic studiesen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=1001-604X&volume=17&issue=2&spage=100&epage=107&date=1999&atitle=Trans-cis+isomerization+of+4-(2-(9-anthryl)vinyl)pyridine.++Molecular+structures+and+1H+NMR+kinetic+studiesen_HK
dc.identifier.emailWong, WT: wtwong@hku.hken_HK
dc.identifier.authorityWong, WT=rp00811en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1002/cjoc.19990170202-
dc.identifier.scopuseid_2-s2.0-0010146797en_HK
dc.identifier.hkuros45436en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0042856486&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume17en_HK
dc.identifier.issue2en_HK
dc.identifier.spage100en_HK
dc.identifier.epage107en_HK
dc.publisher.placeChinaen_HK
dc.identifier.scopusauthoridChoi, YY=7404776630en_HK
dc.identifier.scopusauthoridWong, WY=7403972153en_HK
dc.identifier.scopusauthoridWong, WT=7403973084en_HK

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