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http://hdl.handle.net/1942/12920
Title: | Fingerprints for Structural Defects in Poly(thienylene vinylene) (PTV): A Joint Theoretical-Experimental NMR Study on Model Molecules | Authors: | DILIEN, Hanne MARIN, Lidia Botek, E. Champagne, B. Lemaur, V. Beljonne, D. Lazzaroni, R. CLEIJ, Thomas MAES, Wouter LUTSEN, Laurence VANDERZANDE, Dirk ADRIAENSENS, Peter |
Issue Date: | 2011 | Publisher: | AMER CHEMICAL SOC | Source: | JOURNAL OF PHYSICAL CHEMISTRY B, 115(42), p. 12040-12050 | Abstract: | In the field of plastic electronics, low band gap conjugated polymers like poly(thienylene vinylene) (PTV) and its derivatives are a promising class of materials that can be obtained with high molecular weight via the so-called dithiocarbamate precursor route. We have performed a joint experimental theoretical study of the full NMR chemical shift assignment in a series of thiophene-based model compounds, which aims at (i) benchmarking the quantum-chemical calculations against experiments, (ii) identifying the signature of possible structural defects that can appear during the polymerization of PTV's, namely head-to-head and tail-to-tail defects, and (iii) defining a criterion regarding regioregularity. | Notes: | [Dilien, H; Marin, L; Cleij, TJ; Maes, W; Vanderzande, D; Adriaensens, PJ] Hasselt Univ, Div Chem, Inst Mat Res IMO, B-3590 Diepenbeek, Belgium. [Lutsen, L; Vanderzande, D] IMEC, Div IMOMEC, B-3590 Diepenbeek, Belgium. [Botek, E; Champagne, B] Fac Univ Notre Dame Paix FUNDP, Chim Theor Lab, B-5000 Namur, Belgium. [Lemaur, V; Beljonne, D; Lazzaroni, R] Univ Mons UMONS, Serv Chim Mat Nouveaux, B-7000 Mons, Belgium. peter.adriaensens@uhasselt.be | Document URI: | http://hdl.handle.net/1942/12920 | ISSN: | 1520-6106 | e-ISSN: | 1520-5207 | DOI: | 10.1021/jp206663v | ISI #: | 000296204800009 | Category: | A1 | Type: | Journal Contribution | Validations: | ecoom 2012 |
Appears in Collections: | Research publications |
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