Jump to main content
Jump to site search

Issue 46, 2013
Previous Article Next Article

Optical absorption in donor–acceptor polymers – alternating vs. random

Author affiliations

Abstract

We investigate in a combined theoretical and experimental study the influence that the specific arrangement, e.g., alternating or random, of donor and acceptor units has on the optical absorption of extended molecules. Because of its important role in low gap polymers we discuss in particular the energetic position of the first electronic transition. We theoretically determine the excitations in extended oligomers with thiophene as the donor and 2,1,3-benzothiadiazole as the acceptor component by using time-dependent density functional theory based on non-empirically tuned range separated hybrid functionals. Corresponding systems are synthesized and theoretical and experimental data are critically compared to each other. We conclude that the influence of the specific arrangement of donor and acceptor monomers on the optical gap is limited and that effects beyond the single molecule level effectively limit the size of the experimentally observed optical gap.

Graphical abstract: Optical absorption in donor–acceptor polymers – alternating vs. random

Back to tab navigation

Supplementary files

Article information


Submitted
01 Jul 2013
Accepted
08 Oct 2013
First published
09 Oct 2013

Phys. Chem. Chem. Phys., 2013,15, 20016-20025
Article type
Paper

Optical absorption in donor–acceptor polymers – alternating vs. random

A. Karolewski, A. Neubig, M. Thelakkat and S. Kümmel, Phys. Chem. Chem. Phys., 2013, 15, 20016 DOI: 10.1039/C3CP52739E

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.


Social activity

Search articles by author

Spotlight

Advertisements