< Back to previous page

Publication

Fingerprints for Structural Defects in Poly(thienylene vinylene) (PTV): A Joint Theoretical-Experimental NMR Study on Model Molecules

Journal Contribution - Journal Article

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.
Journal: JOURNAL OF PHYSICAL CHEMISTRY B
ISSN: 1520-6106
Issue: 42
Volume: 115
Pages: 12040 - 12050
Publication year:2011
BOF-keylabel:yes
IOF-keylabel:yes
BOF-publication weight:1
CSS-citation score:1
Authors from:Government, Higher Education, Private
Accessibility:Open