Confined Organization of Fullerene Units Along High Polymer Chains

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Confined Organization of Fullerene Units Along High Polymer Chains

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Title: Confined Organization of Fullerene Units Along High Polymer Chains
Author: Fang, Lei; Liu, Peng; Sveinbjornsson, Benjamin R.; Atahan-Evrenk, Sule; Vandewal, Koen; Osuna, Sílvia; Jiménez-Osés, Gonzalo; Shrestha, Supriya; Giri, Gaurav; Wei, Peng; Salleo, Alberto; Aspuru-Guzik, Alan; Grubbs, Robert H.; Houk, K. N.; Bao, Zhenan

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Citation: Fang, Lei, Peng Liu, Benjamin R. Sveinbjornsson, Sule Atahan-Evrenk, Koen Vandewal, Sílvia Osuna, Gonzalo Jiménez-Osés, et al. 2013. Confined Organization of Fullerene Units Along High Polymer Chains. Journal of Materials Chemistry C 1(36):5747.
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Abstract: 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.
Published Version: doi:10.1039/c3tc31158a
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