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Confined organization of fullerene units along high polymer chains

Fang, Lei and Liu, Peng and Sveinbjornsson, Benjamin R. and Atahan-Evrenk, Sule and Vandewal, Koen and Osuna, Sílvia and Jiménez-Osés, Gonzalo and Shrestha, Supriya and Giri, Gaurav and Wei, Peng and Salleo, Alberto and Aspuru-Guzik, Alán and Grubbs, Robert H. and Houk, K. N. and Bao, Zhenan (2013) Confined organization of fullerene units along high polymer chains. Journal of Materials Chemistry C, 1 (36). pp. 5747-5755. ISSN 2050-7526. doi:10.1039/c3tc31158a.

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Conductive fullerene (C_60) units were designed to be arranged in one dimensional close contact by locally organizing them with covalent bonds in a spatially constrained manner. Combined molecular dynamics and quantum chemical calculations predicted that the intramolecular electronic interactions (i.e. charge transport) between the pendant C_60 units could be controlled by the length of the spacers linking the C_60 units and the polymer main chain. In this context, C_60 side-chain polymers with high relative degrees of polymerization up to 1220 and fullerene compositions up to 53% were synthesized by ruthenium catalyzed ring-opening metathesis polymerization of the corresponding norbornene-functionalized monomers. UV/vis absorption and photothermal deflection spectra corroborated the enhanced inter-fullerene interactions along the polymer chains. The electron mobility measured for the thin film field-effect transistor devices from the polymers was more than an order of magnitude higher than that from the monomers, as a result of the stronger electronic coupling between the adjacent fullerene units within the long polymer chains. This molecular design strategy represents a general approach to the enhancement of charge transport properties of organic materials via covalent bond-based organization.

Item Type:Article
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URLURL TypeDescription
Liu, Peng0000-0002-8188-632X
Grubbs, Robert H.0000-0002-0057-7817
Houk, K. N.0000-0002-8387-5261
Additional Information:© 2013 The Royal Society of Chemistry. Received 16th June 2013; Accepted 15th July 2013. We are grateful to the National Science Foundation (Z. B.: DMR-1006989; K. N. H.: CHE-1059084; A. A.-G.: DMR-08-20484) and Defense Advanced Research Projects Agency (Z. B. & A. A.-G.: QuBE) for Financial support of this research. We are also grateful to the Stanford GCEP initiative (A. A.-G, S. S. and S. A.). S. O. acknowledges the European Community for the postdoctoral fellowship PIOF-GA-2009-252856. G. J.-O. acknowledges the Ministerio de Educación for the postdoctoral fellowship EX2010-1063. We thank the High Performance Technical Computing Center at the Faculty of Arts and Sciences of Harvard University for invaluable support.
Funding AgencyGrant Number
Defense Advanced Research Projects Agency (DARPA)UNSPECIFIED
Global Climate and Energy Project (GCEP)UNSPECIFIED
Marie Curie FellowshipPIOF-GA-2009-252856
Ministerio de EducaciónEX2010-1063
Issue or Number:36
Record Number:CaltechAUTHORS:20130925-111830134
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:41526
Deposited On:25 Sep 2013 20:34
Last Modified:10 Nov 2021 04:31

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