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Krömer, Jens O.; Rios-Carreras, Idoia; Fuhrmann, Gerda; Musch, Christiane; Wunderlin, Markus; Debaerdemaeker, T.; Mena‐Osteritz, Elena; Bäuerle, Peter

doi:10.1002/1521-3773(20001002)39:19<3331::aid-anie3331>3.0.co;2-3

Cited by 74 publications

(125 citation statements)

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“…Simple formulas for estimating the fundamental band gaps in both the anti and syn nanotubes are presented as a function of size and diameter in Eqs. (6) and (7). Most importantly, we find that the syn nanotubes have additional π -π stacking energies and favorable geometric relaxation, resulting in very stable tubular aggregates of cyclic oligothiophenes held together purely via noncovalent interactions.…”

Section: Discussionmentioning

confidence: 99%

“…For example, porphyrin nanotubes are known to self-assemble via strong ionic interactions, 4 and cyclic oligothiophenes have also demonstrated very stable self-assembling properties. 5 Furthermore, recent synthetic advances 6 in the creation of various cyclic oligothiophenes [7][8][9] have opened up the possibility of forming oligothiophene-based nanostructures with specific sizes and chemical functional groups. 10 Compared to conventional carbon nanotubes bonded via strong covalent interactions, cyclic oligothiophene nanotubes are held together along the tube axis via purely noncovalent interactions, lending to facile self-assembly from individual cyclic monomers.…”

Section: Introductionmentioning

confidence: 99%

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Self-assembled cyclic oligothiophene nanotubes: Electronic properties from a dispersion-corrected hybrid functional

Wong

2011

Phys. Rev. B

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The band structure and size scaling of electronic properties in self-assembled cyclic oligothiophene nanotubes are investigated using density functional theory. In these unique tubular aggregates, the π -π stacking interactions between adjacent monomers provide pathways for charge transport and energy migration along the periodic one-dimensional nanostructure. In order to simultaneously describe both the π -π stacking interactions and the global electronic band structure of these nanotubes, we utilize a dispersion-corrected Becke three-parameter Lee-Yang-Parr-D (B3LYP-D) hybrid functional in conjunction with all-electron basis sets and one-dimensional periodic boundary conditions. Based on our B3LYP-D calculations, we present simple analytical formulae for estimating the fundamental band gaps of these unique nanotubes as a function of size and diameter. Our results on these molecular nanostructures indicate that all of the oligothiophene nanotubes are direct-gap semiconductors with band gaps ranging from 0.9 to 3.3 eV, depending on tube diameter and oligothiophene orientation. These nanotubes have cohesive energies of up to 2.43 eV per monomer, indicating future potential use in organic electronic devices due to their tunable electronic band structure and high structural stability.

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Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Self-assembled cyclic oligothiophene nanotubes: Electronic properties from a dispersion-corrected hybrid functional

Wong

2011

Phys. Rev. B

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“…In this context an interesting host-guest system is the couple cyclo [12]thiophene (c [12]T) and C 60 fullerene, respectively a ringshaped p-type and a spherical n-type organic semiconductor [101]. Cyclothiophenes are a well-known class of macrocycles [102], whose self-assembly has been extensively studied by STM [103,104]. The porous network was constituted by a close packed monolayer of c [12]T (Fig.…”

Section: Macrocycle Networkmentioning

confidence: 99%

Two-Dimensional Nanotemplates as Surface Cues for the Controlled Assembly of Organic Molecules

Cicoira

Santato

Rosei

2008

Topics in Current Chemistry

108

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“…64 Além disso, tem-se obtido oligômeros macrocíclicos π-conjugados de tiofenos (23) 65 que, devido ao seu alto grau de conjugação, poderão ser aplicados em dispositivos eletrônicos orgânicos, como ressaltam os autores.…”

Section: Figura 6 Síntese De Hexâmeros Através De Acoplamentos Utiliunclassified

Oligômeros e polímeros derivados do tiofeno: síntese e aplicações

Alves¹,

Calado²,

Matencio³

et al. 2010

Quím. Nova

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#Thanks a lot, Prof. Hans Viertler, for everything you taught me: a plenty of good chemistry, specially organic chemistry and electrochemistry… Thanks for the good examples to be followed and the mistakes and bad things to be avoided… and finally citing Carl Gustav Jung as followed, thank you for helping me to transform myself in the chemist I am now… " Recebido em 24/3/10; aceito em 27/8/10; publicado na web em 25/10/10 THIOPHENE-BASED OLIGOMERS AND POLYMERS: SYNTHESES AND APPLICATIONS. In this review we summarize recent synthetic investigations about the preparation of oligothiophenes and polythiophenes, the most important π-conjugated organic materials for applications in electrochromic and electroluminescent devices. It is showed that many interesting and novel functionalized oligothiophenes have been synthesized by convenient coupling strategies (Heck, Kumada, Negishi, Suzuki, Stille and Ullmann) and oxidative coupling methods. Synthesis of polythiophenes are also presented and described according to chemical and electrochemical polymerization methodologies. The description of these noteworthy synthetic methods illustrates how important and promising are the interdisciplinary approaches in the obtaining of oligothiophenes and polythiophenes.Keywords: oligomeric and polymeric thiophenes; syntheses; conjugated polymers. INTRODUÇÃOOs polímeros conjugados (PCs) são conhecidos como "metais sintéticos" devido a suas propriedades elétricas, magnéticas, eletrô-nicas e ópticas semelhantes aos dos metais; as propriedades de um polímero convencional (flexibilidade, processabilidade e formação de filmes finos, boa estabilidade térmica, etc.) e as propriedades de um semicondutor combinadas em um único material resultam em polímeros para aplicação no campo da eletrônica orgânica. A incontestável importância científica atual desta classe de materiais pode ser percebida pela concessão do Prêmio Nobel de Química de 2000 para Heeger, McDiarmid e Shirakawa por suas pesquisas com PCs. 1 É digno de nota que, quando estes materiais são estimulados eletricamente, podem ter sua cor variada de forma reversível ou mesmo emitir luz visível, o que possibilita a sua aplicação em diversos dispositivos eletrocrômicos 2 ou diodos emissores de luz orgânicos (OLEDs -Organic Light Emission Diodes). Dentre outras possibilidades de aplicação, pode-se citar o desenvolvimento de condutores elétricos, células fotovoltaicas poliméricas, transistores orgânicos, 3,4 anticorrosivos, 5,6 materiais eletrocrômicos, 7 baterias recarregáveis, 8 etc.Em meio aos diversos PCs pesquisados para o desenvolvimento dos dispositivos eletrônicos orgânicos, tais como politiofenos (1), polipirróis (2), polianilinas (3), 9,10 polifenilenovinilenos (4) 11 (Figura 1), destacam-se os politiofenos e seus derivados, que são os materiais mais estudados nesta área. 2 A possibilidade de aplicação dos politiofenos em dispositivos eletrocrômicos é conhecida desde 1983 12-15 e, em 1986, com a primeira síntese descrita de polialquiltiofenos com processabilidade e projeção a nível...

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Cited by 74 publications

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Self-assembled cyclic oligothiophene nanotubes: Electronic properties from a dispersion-corrected hybrid functional

Self-assembled cyclic oligothiophene nanotubes: Electronic properties from a dispersion-corrected hybrid functional

Two-Dimensional Nanotemplates as Surface Cues for the Controlled Assembly of Organic Molecules

Oligômeros e polímeros derivados do tiofeno: síntese e aplicações

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