Erratum: Theoretical study of geometrical and electronic structures of new π-conjugated thiophene copolymers [J. Chem. Phys. <b>104</b>, 1140 (1996)]

Hong, Sup; Kwon, Sangjin; Kim, Shi C.

doi:10.1063/1.473008

Cited by 5 publications

(16 citation statements)

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“…On the other hand the UV-vis spectrum of the monomer in acetonitrile has a maximum at 383 nm, which, compared with terthiophene (350 nm), shows a slight bathochromic effect. Therefore the cyclopentadiene moiety, contrary to expectations, [2] is not in fact dissimilar from the thiophene ring, i.e., the sulfur atom and the methylene group appear to behave similarly and not to interfere with the electronic properties of the conjugated polyene chain.…”

Section: Optical Bandgap Of Poly(dithienylcyclopentadiene)contrasting

confidence: 40%

“…The polymers, and in particular the most insoluble poly (2), are also reversibly reduced (at E 0 ¼ ca. À2.1 V, Figure 4b).…”

Section: The Structure Of Poly(1)mentioning

confidence: 99%

“…Electrodeposition and Properties of Poly (2) and Poly (3) The oxidation potential E p of the 5,5 0 -dialkyl-substituted monomers 2 and 3 is higher than that of 1 (see Table 1), in spite of the donor property of the alkyl substituents, which reflects the loss of the hyperconjugation given to 1 by the hydrogen atoms in position 5. In any case this difference is less important than the effects shown in the coupling process and in the nature of the relevant products.…”

Section: The Structure Of Poly(1)mentioning

confidence: 99%

“…[2] In fact, calculations assigned it an energy gap (1.7 eV) significantly lower than that of polythiophene (2.3 eV [3] ) but this conclusion could not be confirmed experimentally since the real copolymer was not known.…”

Section: Introductionmentioning

confidence: 99%

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Thiophene/cyclopentadiene regular copolymers from electrochemical oxidation of dithienylcyclopentadienes

Berlin

Zotti

Zecchin

et al. 2002

Macromol. Chem. Phys.

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Section: Optical Bandgap Of Poly(dithienylcyclopentadiene)contrasting

confidence: 40%

“…The polymers, and in particular the most insoluble poly (2), are also reversibly reduced (at E 0 ¼ ca. À2.1 V, Figure 4b).…”

Section: The Structure Of Poly(1)mentioning

confidence: 99%

Section: The Structure Of Poly(1)mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Thiophene/cyclopentadiene regular copolymers from electrochemical oxidation of dithienylcyclopentadienes

Berlin

Zotti

Zecchin

et al. 2002

Macromol. Chem. Phys.

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“…Tuning electronic properties to a particular value is easily possible by synthesizing periodic co-polymers. The electronic properties of the hypothetical thiopene copolymers: poly (thienylenecyclopentadienylene) (PThS), poly (thienylene-oxocyclopentadienylene ) (PThOPD) and poly (thienylenethiocyclypenta-dienylene) (PThTPD) have also been theoretically investigated [290]. Novel carbazole-based co-polymers [291] with different co-monomers have been synthesized.…”

Section: Methods For Designing Tailor Made Conducting Polymersmentioning

confidence: 99%

Conducting Polymers: Concepts and Applications

Mishra

2018

Jour. Atomic Mole. Conden. Nano Phys.

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The developments in the field of electrically conducting polymers have grown very rapidly since the discovery and there is a very sharp increase in conductivity when intrinsically insulating organic conjugated polymers are doped with oxidizing and reducing agents. An overview of technological developments involving conducting polymers clearly indicates that the field expands at unprecedented rates. The manuscript first introduces the conducting polymers (CPs), conducting mechanism, concepts of doping and briefly introduces main applications. Different types of CPs, their unique properties and synthesis is discussed. The present review will help the effective implementation of conducting polymers in different fields, which directly depends on the degree of understanding of their behaviour and properties.properties of the conjugated polymers can be varied to a very large extent by appropriate functionalization. Most extensively studied area of the application of undoped conjugated polymers is the fabrication of the polymeric light-emitting diodes, i.e. electronic devices which exploit the phenomenon of electroluminescence. Electroluminescence of conjugated polymers and more precisely poly(p-phenylene vinylene) was first reported by Burroughes et al. [11] in 1990. These undoped conjugated polymers can also be used in the fabrication of a large variety of other devices like organic field-effect transistors. Polymer LEDs show attractive characteristics, including efficient light generation, with great potential for commercialisation. Again the polymer interests in polymers is in their potential use for rapid, low-cost processing using film-forming polymer solutions. Like the conductive polymers, the semi-conductive polymers obtain their properties from their conduction-molecular orbitals and valence molecular orbitals, i.e., bonding π and antibonding π * orbitals, respectively.In electro-chemical light emitting cells, the semi-conductive polymer could be surrounded asymmetrically with a hole-injection electrode on one side, and a low work function, electron injecting metal contact like aluminum, magnesium, calcium etc. on the other side. The emission of light is then the result of radiative charge carrier recombination in the polymer as electrons from one side and holes from the other recombine.Conducting polymers are conjugated polymers, namely organic compounds that have an extended p-orbital system, through which electrons can move from one end of the polymer to the other. In conjugated polymers, the bonding leads to one unpaired electron (the π-electron) per carbon atom. Moreover, π-bonding, in which the carbon orbitals are in the sp 2 pz configuration and in which the orbitals of successive carbon atoms along the backbone overlap, leads to electron delocalization along the backbone of the polymer. This electronic delocalization provides the "highway" for charge mobility along the backbone of the polymer chain. Electronically conducting polymers are extensively conjugated molecules, and it is believed that they po...

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Geometrical and Electronic Structures of New π-Conjugated Pyrrole− and Furan−Nonheterocycle Copolymers

Hong

Song

1997

Chem. Mater.

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The geometrical and electronic structures of new hypothetical pyrrole-and furannonheterocycle copolymers were theoretically investigated. Nonheterocycles include cyclopentadiene, silole, oxocyclopentadiene, and thiocyclopentadiene, whose homopolymers are of the quinoid forms in their ground states. AM1 band calculations show that in the ground states the aromatic forms of the copolymers containing cyclopentadiene or silole rings are more stable than the quinoid types, whereas the aromatic forms of the oxocyclopentadieneor thiocyclopentadiene-containing copolymers are less stable. Modified extended Hü ckel band calculations predict that bandgaps of the copolymers in the ground states are smaller than those of the corresponding homopolymers. The absorption peaks of π-π* band transitions are estimated to appear at 1.68 eV for poly(pyrrolylenesilolylene) and 1.67 eV for poly(furylenesilolylene). Small bandgaps of the copolymers come from the fact that the copolymers consist of different types of cyclic units. Decomposition of the bandgaps reveals that the electronic effect of the heteroatoms (NH and O) in the copolymers is less than half of the effect found in polypyrrole and polyfuran. The small electronic effect decreases bandgaps of the aromatic forms and increases bandgaps of the quinoid types, in comparison to the average of the gaps of the corresponding homopolymers.

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Erratum: Theoretical study of geometrical and electronic structures of new π-conjugated thiophene copolymers [J. Chem. Phys. 104, 1140 (1996)]

Cited by 5 publications

References 0 publications

Thiophene/cyclopentadiene regular copolymers from electrochemical oxidation of dithienylcyclopentadienes

Thiophene/cyclopentadiene regular copolymers from electrochemical oxidation of dithienylcyclopentadienes

Conducting Polymers: Concepts and Applications

Geometrical and Electronic Structures of New π-Conjugated Pyrrole− and Furan−Nonheterocycle Copolymers

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