Electronic Properties Of Poly Research Articles

Theoretical search for low-band-gap vinylene linked polymers: heteroarylene vinylene copolymers

We report a study of the role of the heteroatoms on the electronic properties of poly(thienylene vinylene-co-furylene vinylene), poly(thienylene vinylene-co-pyrrylene vinylene) and poly(furylene vinylene-co-pyrrylene vinylene) at the VEH level. The theoretical calculations show that the electronic properties depend on the nature of the heteroatoms present in the copolymer. The VEH trends are in accord with experimental and theoretical data reported in the literature.

Theoretical investigation of the structure and electronic properties of poly(dithieno[3,4-b:3',4'-d]thiophene), a small-band-gap conjugated polymer

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTTheoretical investigation of the structure and electronic properties of poly(dithieno[3,4-b:3',4'-d]thiophene), a small-band-gap conjugated polymerC. Quattrocchi, R. Lazzaroni, J. L. Bredas, R. Zamboni, and C. TalianiCite this: Macromolecules 1993, 26, 6, 1260–1264Publication Date (Print):March 1, 1993Publication History Published online1 May 2002Published inissue 1 March 1993https://doi.org/10.1021/ma00058a010RIGHTS & PERMISSIONSArticle Views142Altmetric-Citations22LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (653 KB) Get e-Alerts Get e-Alerts

Geometric structure and electronic properties of poly[2,3–8,9]benzanthracene, a new fully fused-ring conjugated polymer

We report modified neglect of diatomic overlap (MNDO) geometry optimizations and valence-effective Hamiltonian (VEH) band structure calculations on a new ladder-type polymer, poly[2,3–8,9]benzanthracene (PBA). Interest in this new fully fused-ring polymer arises from the fact that its synthesis has been recently achieved. The theoretical results indicate that both the geometric and electronic structures of PBA are to be interpreted as resulting from the interactions between a fully planar polyparaphenylene chain and the ethylenic moieties which bridge it. The VEH calculated bandgap for PBA is high, on the order of 2.86 eV, i.e., a value similar to the one calculated for planar polyparaphenylene itself. This wide bandgap is shown to arise from the [HOMO - 1] and [LUMO + 1] levels of polyparaphenylene, the former (latter) being destabilized (stabilized) by antibonding (bonding) interactions with the ethylenic moieties. Differences between linear and angular annelations are briefly discussed.

Precursor route chemistry and electronic properties of poly(p-phenylenevinylene), poly[(2,5-dimethyl-p-phenylene)vinylene] and poly[(2,5-dimethoxy-p-phenylene)vinylene

Several precursor polymer routes to poly(p-phenylenevinylene)4, poly[(2,5-dimethyl-p-phenylene)vinylene]10 and poly[(2,5-dimethoxy-p-phenylene)vinylene]15 are described. Base induced polymerisation of bis-sulfonium salt monomers afforded the polyelectrolytes 3 and 9 which were converted respectively directly into either polymer 4 or 10. Optimised conditions for the complete displacement of sulfonium groups by methanol to produce the corresponding methoxy precursor polymers 5, 11 and 17 are reported. The fully conjugated polymers obtained after heat and acid treatment of these precursors have been characterised and compared with those obtained via different precursor routes. The 1H NMR spectra of the precursor polymers, as well as IR and UV–VIS data of both the precursor polymers and the materials obtained after conversion into the poly(arylenevinylene)s are discussed.

The electronic and electrochemical properties of poly(isothianaphthene)

The physical and electronic properties of poly(isothianaphthene) PITN, are reported, including initial characterization, electrochemical cyclic voltammetry, spectroscopy, and transport properties. PITN has the smallest energy gap of any known conjugated organic polymer, Eg≂1 eV. This novel conjugated polymer exhibits reversible chemical and electrochemical p-type doping with an associated high contrast color change. After doping, thin films of PITN have very low optical density in the visible portion of the spectrum. Thus, PITN is the first example of a transparent highly conducting polymer (σ∼50 Ω−1 cm−1).

Exploratory analysis of the influence of substitutional impurities on the electronic properties of poly(sulfur nitride)

AbstractThe results of extended Huckel calculations are reported for an isolated (SN)x chain in which some of the S2N2 units of the extended one‐dimensional chain are replaced by (SCH2)2 units. It is found that, inter alia, the metallic behavior of the unsubstituted parent is retained but that the conductivity is lowered to an extent governed by the nature and degree of substitution.

Electronic properties of poly(azothiophenylenes), polymers with systems of conjugated bonds in the backbone chain

AbstractIn the course of investigations of electron spectra of previously obtained four fractions of poly(azothiophenylenes) PATPh it was stated, that benzene rings form quinoic structures, and NN or NN groups and S atoms exist in the chain. On the basis of EPR studies the numbers 1016–1018 and 1019 spins/1 g. are obtained for different fractions and for that pyrolized at 625°C., respectively. The investigations concerning electric conductivity and thermal activation energy show that these polymers exhibit a rather poor conductivity. A tentative interpretation of the conductivity is suggested on the basis of discussion of different models of electron mechanism.