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Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/13293

Title: Combined experimental–theoretical NMR study on 2,5-bis(5-aryl-3-hexylthiophen-2-yl) thiazolo[5,4-d]thiazole derivatives for printable electronics
Authors: Van Mierloo, S.
Liégeois, V.
Kudrjasova, J.
Botek, E.
Lutsen, L.
Champagne, B.
Vanderzande, D.
Adriaensens, P.
Maes, W.
Issue Date: 2012
Citation: MAGNETIC RESONANCE IN CHEMISTRY, 50 (5), p. 379-387
Abstract: Four 2,5-bis(5-aryl-3-hexylthiophen-2-yl)thiazolo[5,4-d]thiazole derivatives have been synthesized and thoroughly characterized. The extended aromatic core of the molecules was designed to enhance the charge transport characteristics, and solubilizing hexyl side chains were introduced on the thiophene subunits to enable possible integration of these semiconducting small molecules in printable electronics. Complete elucidation of the chemical structures Q1 by detailed one-dimensional/two-dimensional NMR spectroscopy is described, providing interesting input for chemical shift prediction software as well, because limited experimental data on these types of compounds are currently available. Furthermore, theoretical calculations have assisted experimental observations — giving support for the chemical shift assignment and providing a springboard for future screening and predictions — demonstrating the benefits of a coordinated theoretical–experimental approach.
URI: http://hdl.handle.net/1942/13293
DOI: 10.1002/mrc.3812
ISI #: 000303116200008
ISSN: 0749-1581
Category: A1
Type: Journal Contribution
Validation: ecoom, 2013
Appears in Collections: Research publications

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