File Download

There are no files associated with this item.

  Links for fulltext
     (May Require Subscription)
Supplementary

Article: Transient-resonance Raman and density functional theory investigation of 4-biphenylylnitrenium, 2-fluorenylnitrenium, and diphenylnitrenium ions

TitleTransient-resonance Raman and density functional theory investigation of 4-biphenylylnitrenium, 2-fluorenylnitrenium, and diphenylnitrenium ions
Authors
KeywordsArylnitrenium Ions
Cations
Density Functional Calculations
Raman Spectroscopy
Issue Date2001
PublisherWiley - V C H Verlag GmbH & Co KGaA. The Journal's web site is located at http://www.wiley-vch.de/home/chemistry
Citation
Chemistry - A European Journal, 2001, v. 7 n. 22, p. 4928-4936 How to Cite?
AbstractWe present transient-resonance Raman spectra for the 4-biphenylylnitrenium, diphenylnitrenium, and 2-fluorenylnitrenium ions. These spectra display a number of fundamental vibrational bands whose frequencies exhibit good agreement with those computed using BPW91/cc-PVDZ density functional theory calculations for the singlet ground states of the 4-biphenylylnitrenium, diphenylnitrenium, and 2-fluorenylnitrenium ions. Comparison of these arylnitrenium ions with each other and with previous results for structurally similar biphenyl radical cations indicates that the degree of iminocyclohexadienyl character observed in these arylnitrenium ions depends on the relative orientation of the two phenyl rings, the nature of the nitrenium ion moiety, and the ability of the biphenyl-like group to accommodate positive charge through formation of a more planar-like structure with quinoidal-like character. © Wiley-VCH Verlag GmbH, 2001.
Persistent Identifierhttp://hdl.handle.net/10722/167713
ISSN
2015 Impact Factor: 5.771
2015 SCImago Journal Rankings: 2.323
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorZhu, Pen_US
dc.contributor.authorOng, SYen_US
dc.contributor.authorChan, PYen_US
dc.contributor.authorPoon, YFen_US
dc.contributor.authorLeung, KHen_US
dc.contributor.authorPhillips, DLen_US
dc.date.accessioned2012-10-08T03:10:21Z-
dc.date.available2012-10-08T03:10:21Z-
dc.date.issued2001en_US
dc.identifier.citationChemistry - A European Journal, 2001, v. 7 n. 22, p. 4928-4936en_US
dc.identifier.issn0947-6539en_US
dc.identifier.urihttp://hdl.handle.net/10722/167713-
dc.description.abstractWe present transient-resonance Raman spectra for the 4-biphenylylnitrenium, diphenylnitrenium, and 2-fluorenylnitrenium ions. These spectra display a number of fundamental vibrational bands whose frequencies exhibit good agreement with those computed using BPW91/cc-PVDZ density functional theory calculations for the singlet ground states of the 4-biphenylylnitrenium, diphenylnitrenium, and 2-fluorenylnitrenium ions. Comparison of these arylnitrenium ions with each other and with previous results for structurally similar biphenyl radical cations indicates that the degree of iminocyclohexadienyl character observed in these arylnitrenium ions depends on the relative orientation of the two phenyl rings, the nature of the nitrenium ion moiety, and the ability of the biphenyl-like group to accommodate positive charge through formation of a more planar-like structure with quinoidal-like character. © Wiley-VCH Verlag GmbH, 2001.en_US
dc.languageengen_US
dc.publisherWiley - V C H Verlag GmbH & Co KGaA. The Journal's web site is located at http://www.wiley-vch.de/home/chemistryen_US
dc.relation.ispartofChemistry - A European Journalen_US
dc.subjectArylnitrenium Ionsen_US
dc.subjectCationsen_US
dc.subjectDensity Functional Calculationsen_US
dc.subjectRaman Spectroscopyen_US
dc.titleTransient-resonance Raman and density functional theory investigation of 4-biphenylylnitrenium, 2-fluorenylnitrenium, and diphenylnitrenium ionsen_US
dc.typeArticleen_US
dc.identifier.emailPhillips, DL:phillips@hku.hken_US
dc.identifier.authorityPhillips, DL=rp00770en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1002/1521-3765(20011119)7:22<4928::AID-CHEM4928>3.0.CO;2-C-
dc.identifier.pmid11763461-
dc.identifier.scopuseid_2-s2.0-0035914632en_US
dc.identifier.hkuros73868-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0035914632&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume7en_US
dc.identifier.issue22en_US
dc.identifier.spage4928en_US
dc.identifier.epage4936en_US
dc.identifier.isiWOS:000172434500018-
dc.publisher.placeGermanyen_US
dc.identifier.scopusauthoridZhu, P=7202169049en_US
dc.identifier.scopusauthoridOng, SY=7202336462en_US
dc.identifier.scopusauthoridChan, PY=7403497922en_US
dc.identifier.scopusauthoridPoon, YF=8376253500en_US
dc.identifier.scopusauthoridLeung, KH=7401860609en_US
dc.identifier.scopusauthoridPhillips, DL=7404519365en_US

Export via OAI-PMH Interface in XML Formats


OR


Export to Other Non-XML Formats