Conducting polymer actuator mechanism based on the conformational flexibility of calix[4]arene

被引：27

作者：

Casanovas, J

Zanuy, D

Alemán, C

机构：

[1] Univ Lleida, Escola Politecn Super, Dept Quim, Lleidaq 25001, Spain

[2] Univ Politecn Catalunya, ETS Engn Ind Barcelona, Dept Engn Quim, Barcelona 08028, Spain

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2006年 / 45卷 / 07期

关键词：

ab initio calculations; calixarenes; polymers; redox chemistry; thiophenes;

D O I：

10.1002/anie.200503304

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Figure Presented) Contracted out: Quantum mechanical calculations and classical molecular dynamics simulations have been used to investigate the actuation mechanism of a substituted poly(calix[4]arene quaterthiophene). The results show that electrostatic repulsions between the charged atoms of the calix[4]arene scaffolds in the oxidized-deprotonated species induce a drastic contraction of the electrochemically activated polymer molecules. © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.

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页码：1103 / 1105

页数：3

相关论文

共 27 条

[1] Theoretical investigation on the rotational isomerism of calix[4]arenes:: Influence of the hydroxyl→methoxy replacement [J].

Alemán, C ;

Casanovas, J .

JOURNAL OF PHYSICAL CHEMISTRY A, 2005, 109 (35) :8049-8054

[2] Impact of the solvent on the conformational isomerism of calix[4]arenes:: A study based on continuum solvation models [J].

Alemán, C ;

den Otter, WK ;

Tolpekina, TV ;

Briels, WJ .

JOURNAL OF ORGANIC CHEMISTRY, 2004, 69 (03) :951-958

[3] Cation coordination by calix[4]arenes bearing amide and/or phosphine oxide pendant groups:: how many arms are needed to bind Li+ vs. Na+?: A combined NMR and molecular dynamics study [J].

Baaden, M ;

Wipff, G ;

Yaftian, MR ;

Burgard, M ;

Matt, D .

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 2000, (07) :1315-1321

[4] Conducting polymer artificial muscles [J].

Baughman, RH .

SYNTHETIC METALS, 1996, 78 (03) :339-353

[5] Theoretical study of anion binding to calix[4]pyrrole:: the effects of solvent, fluorine substitution, cosolute, and water traces [J].

Blas, JR ;

Márquez, M ;

Sessler, JL ;

Luque, FJ ;

Orozco, M .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2002, 124 (43) :12796-12805

[6] Solvent effect on the isomerization rate of calix[4]arene studied by molecular dynamics simulations [J].

den Otter, WK ;

Briels, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (50) :13167-13175

[7] Steric and electronic effects in methyl-substituted 2,2′-bipyrroles and poly(2,2′-bipyrrole)s:: Part II.: Theoretical investigation on monomers [J].

Gatti, C ;

Frigerio, G ;

Benincori, T ;

Brenna, E ;

Sannicolò, F ;

Zotti, G ;

Zecchin, S ;

Schiavon, G .

CHEMISTRY OF MATERIALS, 2000, 12 (05) :1490-1499

[8] INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].

HARIHARA.PC ;

POPLE, JA .

THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222

[9] Novel cavity design using calix[n]arene skeletons: Toward molecular recognition and metal binding [J].

Ikeda, A ;

Shinkai, S .

CHEMICAL REVIEWS, 1997, 97 (05) :1713-1734

[10] Microrobots for micrometer-size objects in aqueous media:: Potential tools for single-cell manipulation [J].

Jager, EWH ;

Inganäs, O ;

Lundström, I .

SCIENCE, 2000, 288 (5475) :2335-2338