dc.creatorWong, KF
dc.creatorSkaf, MS
dc.creatorYang, CY
dc.creatorRossky, PJ
dc.creatorBagchi, B
dc.creatorHu, DH
dc.creatorYu, J
dc.creatorBarbara, PF
dc.date2001
dc.date38534
dc.date2014-11-20T00:15:54Z
dc.date2015-11-26T17:10:09Z
dc.date2014-11-20T00:15:54Z
dc.date2015-11-26T17:10:09Z
dc.date.accessioned2018-03-28T23:58:44Z
dc.date.available2018-03-28T23:58:44Z
dc.identifierJournal Of Physical Chemistry B. Amer Chemical Soc, v. 105, n. 26, n. 6103, n. 6107, 2001.
dc.identifier1089-5647
dc.identifierWOS:000169713800008
dc.identifier10.1021/jp010392b
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/79638
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/79638
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/79638
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1280793
dc.descriptionQuantum chemical analyses of poly(p-phenylenevinylene) (PPV)-based polymers with conformational and chemical defects are presented. It is shown that defects leading to tetrahedral kinks in the polymerization direction that were proposed previously to explain the optical anisotropy of polymer films (Hu et al. Nature 2000, 405, 1030) are indeed energetically stable. These defects are shown not to affect the primary electronic absorption band, but they may localize the electron-hole excitation in one segment of the polymer chain.
dc.description105
dc.description26
dc.description6103
dc.description6107
dc.languageen
dc.publisherAmer Chemical Soc
dc.publisherWashington
dc.publisherEUA
dc.relationJournal Of Physical Chemistry B
dc.relationJ. Phys. Chem. B
dc.rightsfechado
dc.sourceWeb of Science
dc.subjectInterchain Interactions
dc.subjectPi-conjugation
dc.subjectChain
dc.subjectPoly(p-phenylenevinylene)
dc.subjectPhotophysics
dc.subjectOligomers
dc.subjectFilms
dc.subjectSpectroscopy
dc.subjectHomopolymer
dc.subjectMorphology
dc.titleStructural and electronic characterization of chemical and conformational defects in conjugated polymers
dc.typeArtículos de revistas


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