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Article: Transient resonance Raman and density functional theory investigation of 4-methoxyphenylnitrenium and 4-ethoxyphenylnitrenium ions

TitleTransient resonance Raman and density functional theory investigation of 4-methoxyphenylnitrenium and 4-ethoxyphenylnitrenium ions
Authors
Issue Date2003
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/jpca
Citation
Journal Of Physical Chemistry A, 2003, v. 107 n. 40, p. 8067-8074 How to Cite?
AbstractThis paper presents a transient resonance Raman and density functional theory study of 4-methoxyphenylnitrenium and 4-ethoxyphenylnitrenium ions in a largely aqueous environment. The transient Raman bands observed in conjunction with the (U)BPW91/cc-PVDZ calculation results indicates these nitrenium ions are singlet state species. Both the 4-methoxyphenylnitrenium and the 4-ethoxyphenylnitrenium ions have significant iminocyclohexadienyl character to a degree very similar to that previously found for the 2-fluorenylnitrenium ion. The 4-methoxyphenylnitrenium and the 4-ethoxyphenylnitrenium ions also have significant oxocarbocation character and this influences both their properties and chemical reactivity. We compare the properties of the 4-methoxyphenylnitrenium and the 4-ethoxyphenylnitrenium ions to those previously found for other arylnitrenium ions.
Persistent Identifierhttp://hdl.handle.net/10722/69971
ISSN
2015 Impact Factor: 2.883
2015 SCImago Journal Rankings: 1.231
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorChan, PYen_HK
dc.contributor.authorOng, SYen_HK
dc.contributor.authorZhu, Pen_HK
dc.contributor.authorZhao, Cen_HK
dc.contributor.authorPhillips, DLen_HK
dc.date.accessioned2010-09-06T06:18:31Z-
dc.date.available2010-09-06T06:18:31Z-
dc.date.issued2003en_HK
dc.identifier.citationJournal Of Physical Chemistry A, 2003, v. 107 n. 40, p. 8067-8074en_HK
dc.identifier.issn1089-5639en_HK
dc.identifier.urihttp://hdl.handle.net/10722/69971-
dc.description.abstractThis paper presents a transient resonance Raman and density functional theory study of 4-methoxyphenylnitrenium and 4-ethoxyphenylnitrenium ions in a largely aqueous environment. The transient Raman bands observed in conjunction with the (U)BPW91/cc-PVDZ calculation results indicates these nitrenium ions are singlet state species. Both the 4-methoxyphenylnitrenium and the 4-ethoxyphenylnitrenium ions have significant iminocyclohexadienyl character to a degree very similar to that previously found for the 2-fluorenylnitrenium ion. The 4-methoxyphenylnitrenium and the 4-ethoxyphenylnitrenium ions also have significant oxocarbocation character and this influences both their properties and chemical reactivity. We compare the properties of the 4-methoxyphenylnitrenium and the 4-ethoxyphenylnitrenium ions to those previously found for other arylnitrenium ions.en_HK
dc.languageengen_HK
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/jpcaen_HK
dc.relation.ispartofJournal of Physical Chemistry Aen_HK
dc.titleTransient resonance Raman and density functional theory investigation of 4-methoxyphenylnitrenium and 4-ethoxyphenylnitrenium ionsen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=1089-5639&volume=107&spage=8067&epage=8074&date=2003&atitle=Transient+resonance+raman+and+density+functional+theory+investigation+of+4-methoxyphenylnitrenium+and+4-ethoxyphenylnitrenium+ions+en_HK
dc.identifier.emailPhillips, DL:phillips@hku.hken_HK
dc.identifier.authorityPhillips, DL=rp00770en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1021/jp0224261en_HK
dc.identifier.scopuseid_2-s2.0-0242334278en_HK
dc.identifier.hkuros92448en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0242334278&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume107en_HK
dc.identifier.issue40en_HK
dc.identifier.spage8067en_HK
dc.identifier.epage8074en_HK
dc.identifier.isiWOS:000185757100008-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridChan, PY=7403497922en_HK
dc.identifier.scopusauthoridOng, SY=7202336462en_HK
dc.identifier.scopusauthoridZhu, P=7202169049en_HK
dc.identifier.scopusauthoridZhao, C=7403563836en_HK
dc.identifier.scopusauthoridPhillips, DL=7404519365en_HK

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