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dc.contributor.authorGobbi, Luca
dc.contributor.authorElmacı, Nuran
dc.contributor.authorLüthi, Hans Peter
dc.contributor.authorDiederich, François
dc.date.accessioned2016-05-09T07:41:27Z
dc.date.available2016-05-09T07:41:27Z
dc.date.issued2001-07
dc.identifier.citationGobbi, L., Elmacı, N., Lüthi, H. P., and Diederich, F. (2001). N,N-dialkylaniline-substituted tetraethynylethenes: A new class of chromophores possessing an emitting charge-transfer state. Experimental and computational studies. ChemPhysChem, 2(7), 423-433. doi:10.1002/1439-7641(20010716)2:7<423::AID-CPHC423>3.0.CO;2-Ren_US
dc.identifier.issn1439-4235
dc.identifier.urihttp://doi.org/10.1002/1439-7641(20010716)2:7<423::AID-CPHC423>3.0.CO;2-R
dc.identifier.urihttp://hdl.handle.net/11147/4610
dc.description.abstractThe photophysical properties of N,N-dimethylaniline- (DMA) substituted tetraethynylethene (TEE; 3,4-diethynylhex-3-ene-1,5-diyne) and related derivatives were investigated in a joint experimental and computational study. Measurements of the electronic emission spectra showed that these novel chromophores display a dual fluorescence which strongly depends on solvent polarity. Computational studies suggest that the twisted intramolecular charge-transfer state (TICT) model offers a possible explanation for the experimentally observed dual fluorescence. Time-dependent density functional calculations revealed that the initial excited state reached upon photoirradiation relaxes to a lower-energy TICT state in which either the dimethylamino group is twisted into an orthogonal position with respect to the remaining planar arylated TEE moiety or the entire DMA donor group takes an orthogonal orientation with respect to the rigid, planar TEE acceptor moiety. For the compounds investigated, the charge-transfer state responsible for the strongly solvent-dependent luminescence is directly connected with the initial excited state, namely, no crossing of states is involved.en_US
dc.language.isoengen_US
dc.publisherWiley-VCH Verlagen_US
dc.relation.isversionof10.1002/1439-7641(20010716)2:7<423::AID-CPHC423>3.0.CO;2-Ren_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectAlkynesen_US
dc.subjectCharge transferen_US
dc.subjectDensity functional calculationsen_US
dc.subjectFluorescenceen_US
dc.subjectTICTen_US
dc.subjectAniline compoundsen_US
dc.titleN,N-dialkylaniline-substituted tetraethynylethenes: A new class of chromophores possessing an emitting charge-transfer state. Experimental and computational studiesen_US
dc.typearticleen_US
dc.contributor.authorIDTR9101en_US
dc.contributor.iztechauthorElmacı, Nuran
dc.relation.journalChemPhysChemen_US
dc.contributor.departmentIzmir Institute of Technology. Chemistryen_US
dc.identifier.volume2en_US
dc.identifier.issue7en_US
dc.identifier.startpage423en_US
dc.identifier.endpage433en_US
dc.identifier.wosWOS:000169976000004
dc.identifier.scopusSCOPUS:2-s2.0-0000737039
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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