Theoretical study of push-pull molecules based on thiophene oligomers

Maria Cristina dos Santos; L. E. Bolivar-Marinez; Douglas S. Galvao

doi:10.1117/12.219552

15 September 1995 Theoretical study of push-pull molecules based on thiophene oligomers

Maria Cristina dos Santos, L. E. Bolivar-Marinez, Douglas S. Galvao

Proceedings Volume 2528, Optical and Photonic Applications of Electroactive and Conducting Polymers; (1995) https://doi.org/10.1117/12.219552
Event: SPIE's 1995 International Symposium on Optical Science, Engineering, and Instrumentation, 1995, San Diego, CA, United States

Abstract

Thiophene oligomers ((alpha) -(alpha) ' linkages) have been intensively studied in past years. In particular, sexithiophenes have been synthesized with a high degree of purity and good crystallinity allowing the fabrication of reliable field effect transistors. When donor- acceptor terminal groups are attached to thiophene oligomers, an anomalous behavior of the fluorescence as a function of the number of rings has been reported. There are experimental evidences of charge transfer suppression for oligomers containing more than four rings. In this work, we investigate the electronic structure of these systems. Geometrical optimizations and spectroscopic features of both ground and excited states are obtained through the use of sophisticated semi-empirical methods. Our results show that charge transfer suppression can be explained in terms of the evolution of the electronic spectrum.

Citation Download Citation

Maria Cristina dos Santos, L. E. Bolivar-Marinez, and Douglas S. Galvao "Theoretical study of push-pull molecules based on thiophene oligomers", Proc. SPIE 2528, Optical and Photonic Applications of Electroactive and Conducting Polymers, (15 September 1995); https://doi.org/10.1117/12.219552

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