Far-infrared spectroscopy investigation of sulfur–oxygen interactions in π-conjugated oligomers

[Display omitted] ► Non-covalent S⋯O interactions are studied in oligo(thienylene-2,5-dialkoxyphenylene). ► They expected to lead to a better supramolecular order. ► Far-infrared measurements coupled to density functional theory are used. ► The most sensitive modes to the S⋯O interactions are locate...

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Bibliographic Details
Published in:Chemical physics letters 2012-05, Vol.535, p.116-119
Main Authors: Hermet, P., Bantignies, J.-L., Lère-Porte, J.-P., Serein-Spirau, F.
Format: Article
Language:English
Subjects:
Chemical Sciences
Organic chemistry
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Summary:[Display omitted] ► Non-covalent S⋯O interactions are studied in oligo(thienylene-2,5-dialkoxyphenylene). ► They expected to lead to a better supramolecular order. ► Far-infrared measurements coupled to density functional theory are used. ► The most sensitive modes to the S⋯O interactions are located around 300cm−1. ► They are assigned to in-plane shear of thiophene rings coupled to the methoxy groups. Two π-conjugated oligomer models which only differ from the methoxy groups on the phenyl ring, 1,4-bis(2-thienyl)benzene and 1,4-dimethoxy-2,5-bis(2-thienyl)benzene, have been considered to investigate the intramolecular non-covalent sulfur–oxygen interactions. For this purpose, we used far-infrared measurements coupled to density functional theory based calculations. We found that the most sensitive modes to the sulfur–oxygen interactions are located around 300cm−1 and they are assigned to in-plane shear of thiophene rings coupled to the methoxy groups.
ISSN:0009-2614
1873-4448
DOI:10.1016/j.cplett.2012.03.067