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Article: Transient resonance Raman investigation of 4-iminocyclohexa-2,5-dienylidene and 4-oxocyclohexa-2,5-dienylidene carbenes in aqueous solution

TitleTransient resonance Raman investigation of 4-iminocyclohexa-2,5-dienylidene and 4-oxocyclohexa-2,5-dienylidene carbenes in aqueous solution
Authors
Issue Date2002
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/jpca
Citation
Journal Of Physical Chemistry A, 2002, v. 106 n. 26, p. 6254-6261 How to Cite?
AbstractWe present transient resonance Raman spectra for the 4-iminocyclohexa-dienylidene and 4-oxocyclohexa-2,5-dienylidene carbene species in aqueous solutions. Comparison of the experimental vibrational frequencies to values computed from density functional theory calculations suggests that both carbenes are in their triplet states. Comparison of the structure and properties of the 4-iminocyclohexa-dienylidene to those previously found for several arylnitrenium ions indicates that the imine and cyclohexadienyl character of the 4-iminocyclohexa-2,5-dienylidene carbene is similar to the diphenylnitrenium ion. This suggests the smaller C-N bond order and lower cyclohexadienyl character of the triplet 4-iminocyclohexa-2,5-dienylidene carbene compared to the higher C=O bond order and greater cyclohexadienyl character of the triplet 4-oxocyclohexa-2,5-dienylidene carbene is mainly due to the charge delocalization ability of the second hydrogen atom in the -NH 2 + moiety. We briefly discuss the structure and properties of these two carbenes and their similarities and differences in chemical reactivity.
Persistent Identifierhttp://hdl.handle.net/10722/69324
ISSN
2015 Impact Factor: 2.883
2015 SCImago Journal Rankings: 1.231
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorChan, WSen_HK
dc.contributor.authorLeung, KHen_HK
dc.contributor.authorOng, SYen_HK
dc.contributor.authorPhillips, DLen_HK
dc.date.accessioned2010-09-06T06:12:36Z-
dc.date.available2010-09-06T06:12:36Z-
dc.date.issued2002en_HK
dc.identifier.citationJournal Of Physical Chemistry A, 2002, v. 106 n. 26, p. 6254-6261en_HK
dc.identifier.issn1089-5639en_HK
dc.identifier.urihttp://hdl.handle.net/10722/69324-
dc.description.abstractWe present transient resonance Raman spectra for the 4-iminocyclohexa-dienylidene and 4-oxocyclohexa-2,5-dienylidene carbene species in aqueous solutions. Comparison of the experimental vibrational frequencies to values computed from density functional theory calculations suggests that both carbenes are in their triplet states. Comparison of the structure and properties of the 4-iminocyclohexa-dienylidene to those previously found for several arylnitrenium ions indicates that the imine and cyclohexadienyl character of the 4-iminocyclohexa-2,5-dienylidene carbene is similar to the diphenylnitrenium ion. This suggests the smaller C-N bond order and lower cyclohexadienyl character of the triplet 4-iminocyclohexa-2,5-dienylidene carbene compared to the higher C=O bond order and greater cyclohexadienyl character of the triplet 4-oxocyclohexa-2,5-dienylidene carbene is mainly due to the charge delocalization ability of the second hydrogen atom in the -NH 2 + moiety. We briefly discuss the structure and properties of these two carbenes and their similarities and differences in chemical reactivity.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 investigation of 4-iminocyclohexa-2,5-dienylidene and 4-oxocyclohexa-2,5-dienylidene carbenes in aqueous solutionen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=1089-5639&volume=106&issue=26&spage=6254&epage=6261&date=2002&atitle=Transient+resonance+raman+investigation+of+4-iminocyclohexa-2,5-dienylidene+and+4-oxocyclohexa-2,5-dienylidene+carbenes+in+aqueous+solutionen_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/jp014254yen_HK
dc.identifier.scopuseid_2-s2.0-0037019444en_HK
dc.identifier.hkuros77155en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0037019444&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume106en_HK
dc.identifier.issue26en_HK
dc.identifier.spage6254en_HK
dc.identifier.epage6261en_HK
dc.identifier.isiWOS:000176592700005-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridChan, WS=35067933100en_HK
dc.identifier.scopusauthoridLeung, KH=7401860609en_HK
dc.identifier.scopusauthoridOng, SY=7202336462en_HK
dc.identifier.scopusauthoridPhillips, DL=7404519365en_HK

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