Properties of poly(3-halidethiophene)s
dc.contributor.author
dc.date.accessioned
2015-11-03T14:20:27Z
dc.date.available
2015-11-03T14:20:27Z
dc.date.issued
2012
dc.identifier.issn
1463-9076
dc.identifier.uri
dc.description.abstract
The influence of the halogen atom on the intrinsic properties of poly(3-halidethiophene)s has been investigated using experimental and theoretical methodologies. Specifically, the electrochemical, electrical, electronic and morphological properties of poly(3-bromothiophene) have been determined and compared with those recently reported for poly(3-chlorothiophene) [Aradilla et al., Polym. Chem., 2012, 3, 436.]. The electrochemical stability and porosity are smaller for poly(3-bromothiophene) than for poly(3-chlorothiophene) while the π-π* lowest transition energy is higher for the former than for the latter. Moreover, quantum mechanical calculations on model oligomers have evidenced that the conformational properties of poly(3-halidethiophene)s, where the halogen is fluorine, chloride or bromine, are dominated by steric interactions and, therefore, are significantly influenced by the size of the halogen atoms. Both the ionization potential and the π-π* lowest transition energy have been predicted to increase slightly when the π-donor character of the halogen atom decreases, in agreement with experimental observations
dc.description.sponsorship
Financial support from the MICINN and FEDER (MAT2009-09138, CTQ2008-06532/BQU, CTQ2008-03077/BQU, CTQ2011-23156 and CTQ2011-25086) and Generalitat de Catalunya (research group 2009 SGR 925, 2009 SGR 637 and XRQTC) is gratefully acknowledged. Support for the research of C.A. and M.S. was received through the prize "ICREA Academia'' for excellence in research funded by the Generalitat de Catalunya
dc.format.mimetype
application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry (RSC)
dc.relation
info:eu-repo/grantAgreement/MICINN//CTQ2008-06532/ES/REACTIVIDAD Y ENLACE QUIMICO EN BIOMEDICINA Y QUIMICA (BIO)INORGANICA/
info:eu-repo/grantAgreement/MICINN//CTQ2008-03077/ES/CLUSTERES METALICOS Y SEMIMETALICOS. ESTUDIOS DE AROMATICIDAD Y REACTIVIDAD/
info:eu-repo/grantAgreement/MICINN//CTQ2011-23156/ES/AVANCES EN CATALISIS Y AROMATICIDAD/
info:eu-repo/grantAgreement/MICINN//CTQ2011-25086/ES/MODELIZACION MULTIESCALAR EN (BIO)QUIMICA/
AGAUR/2009-2014/2009 SGR-637
dc.relation.isformatof
Reproducció digital del document publicat a: http://dx.doi.org/10.1039/c2cp40436b
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© Physical Chemistry Chemical Physics, 2012, vol. 14, núm. 28, p. 10050-10062
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Articles publicats (D-Q)
dc.rights
Tots els drets reservats
dc.title
Properties of poly(3-halidethiophene)s
dc.type
info:eu-repo/semantics/article
dc.rights.accessRights
info:eu-repo/semantics/embargoedAccess
dc.embargo.terms
Cap
dc.date.embargoEndDate
info:eu-repo/date/embargoEnd/2026-01-01
dc.type.version
info:eu-repo/semantics/publishedVersion
dc.identifier.doi
dc.identifier.idgrec
016472
dc.contributor.funder
dc.relation.ProjectAcronym
dc.identifier.eissn
1463-9084