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Article: Transient resonance Raman and density functional theory investigation of the 2-fluorenylnitrenium ion

TitleTransient resonance Raman and density functional theory investigation of the 2-fluorenylnitrenium ion
Authors
Issue Date2001
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/jacsat/index.html
Citation
Journal Of The American Chemical Society, 2001, v. 123 n. 11, p. 2645-2649 How to Cite?
AbstractWe report a transient resonance Raman spectrum for the 2-fluorenylnitrenium ion obtained after photolysis of 2-azidofluorene. The 10 experimental Raman band frequencies of the transient spectrum show very good agreement with the computed frequencies from BPW91/cc-PVDZ density functional theory calculations for the 2-fluorenylnitrenium ion. Our results confirm the assignment of the ∼-460 nm transient absorption band formed after photolysis of 2-azidofluorene in water/acetonitrile or water solution to the singlet ground electronic state 2-fluorenylnitrenium ion. Our study indicates the 2-fluorenylnitrenium has a large degree of iminocyclohexadienyl cation character with significant delocalization of the charge over both phenyl rings of the fluorene moiety. We compare our results for the 2-fluoreneylnitrenium ion to those previously reported for several other arylnitrenium ions.
Persistent Identifierhttp://hdl.handle.net/10722/68833
ISSN
2015 Impact Factor: 13.038
2015 SCImago Journal Rankings: 7.123
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorZhu, Pen_HK
dc.contributor.authorShing Yau Ongen_HK
dc.contributor.authorPik Ying Chanen_HK
dc.contributor.authorKing Hung Leungen_HK
dc.contributor.authorPhillips, DLen_HK
dc.date.accessioned2010-09-06T06:08:08Z-
dc.date.available2010-09-06T06:08:08Z-
dc.date.issued2001en_HK
dc.identifier.citationJournal Of The American Chemical Society, 2001, v. 123 n. 11, p. 2645-2649en_HK
dc.identifier.issn0002-7863en_HK
dc.identifier.urihttp://hdl.handle.net/10722/68833-
dc.description.abstractWe report a transient resonance Raman spectrum for the 2-fluorenylnitrenium ion obtained after photolysis of 2-azidofluorene. The 10 experimental Raman band frequencies of the transient spectrum show very good agreement with the computed frequencies from BPW91/cc-PVDZ density functional theory calculations for the 2-fluorenylnitrenium ion. Our results confirm the assignment of the ∼-460 nm transient absorption band formed after photolysis of 2-azidofluorene in water/acetonitrile or water solution to the singlet ground electronic state 2-fluorenylnitrenium ion. Our study indicates the 2-fluorenylnitrenium has a large degree of iminocyclohexadienyl cation character with significant delocalization of the charge over both phenyl rings of the fluorene moiety. We compare our results for the 2-fluoreneylnitrenium ion to those previously reported for several other arylnitrenium ions.en_HK
dc.languageengen_HK
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/jacsat/index.htmlen_HK
dc.relation.ispartofJournal of the American Chemical Societyen_HK
dc.titleTransient resonance Raman and density functional theory investigation of the 2-fluorenylnitrenium ionen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0002-7863&volume=123&spage=2645&epage=2649&date=2001&atitle=Transient+Resonance+Raman+and+Density+Functional+Theory+Investigation+of+the+2-Fluorenylnitrenium+Ionen_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/ja003839nen_HK
dc.identifier.pmid11456934-
dc.identifier.scopuseid_2-s2.0-0034837527en_HK
dc.identifier.hkuros62454en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0034837527&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume123en_HK
dc.identifier.issue11en_HK
dc.identifier.spage2645en_HK
dc.identifier.epage2649en_HK
dc.identifier.isiWOS:000167632900021-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridZhu, P=7202169049en_HK
dc.identifier.scopusauthoridShing Yau Ong=7202336462en_HK
dc.identifier.scopusauthoridPik Ying Chan=7403497922en_HK
dc.identifier.scopusauthoridKing Hung Leung=7401860609en_HK
dc.identifier.scopusauthoridPhillips, DL=7404519365en_HK

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