title: Fingerprints for structural defects in poly(thienylene vinylene) (PTV): a joint theoretical-experimental NMR study on model molecules.
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.
authors: Institute for Materials Research (IMO)-Chemistry Division, Hasselt University, Universitaire Campus, Building D, B-3590 Diepenbeek, Belgium.
authors: H
authors: H
authors: Diliën
authors: L
authors: L
authors: Marin
authors: E
authors: E
authors: Botek
authors: B
authors: B
authors: Champagne
authors: V
authors: V
authors: Lemaur
authors: D
authors: D
authors: Beljonne
authors: R
authors: R
authors: Lazzaroni
authors: T J
authors: TJ
authors: Cleij
authors: W
authors: W
authors: Maes
authors: L
authors: L
authors: Lutsen
authors: D
authors: D
authors: Vanderzande
authors: P J
authors: PJ
authors: Adriaensens