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Color fine-tuning of optical materials through rational design

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posted on 2018-03-16, 14:09 authored by Brigitte Holzer, Johannes Bintinger, Daniel Lumpi, Christopher Choi, Youngwan Kim, Berthold Stoger, Christian Hametner, Martina Marchetti-Deschmann, Felix PlasserFelix Plasser, Ernst Horkel, Ioannis Kymissis, Johannes Frohlich
© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim We report on the feasibility for color fine-tuning of optical materials using rational design principles based on chemical reasoning. For this purpose, a modular framework for the construction of symmetrical cap-linker-cap compounds, using triarylamine caps and oligothiophene linkers, is applied. The chosen structural scaffolds are heavily used in recent industrial applications and provide five possibilities for altering their electronic and steric properties: electron donor/acceptor groups, planarization/deplanarization, and modulation of the π-conjugation length. Permutation of the used building blocks leads to a set of 54 different molecules, out of which 32 are synthesized and characterized in solution as well as in example fabricated OLED devices. This setup allows for color fine-tuning in the range of 412 nm to 540 nm with typical steps of 4 nm. In addition, to further benefit from the large experimental data set the spectroscopic results are used to benchmark quantum chemical computations, which show excellent agreement thus highlighting the potential of these calculations to guide future syntheses.

Funding

This work is supported by the Marietta Blau Grant of the OeAD (ICM201400009). FP is supported by the VSC Research Center funded by the Austrian Federal Ministry of Science, Research, and Economy (bmwfw). This material is based upon work supported by the NSF MRSEC program through Columbia in the Center for Precision Assembly of Superstratic and Superatomic Solids (DMR-1420634)

History

School

  • Science

Department

  • Chemistry

Published in

ChemPhysChem

Volume

18

Issue

5

Pages

549 - 563

Citation

HOLZER, B. ...et al., 2017. Color fine-tuning of optical materials through rational design. ChemPhysChem, 18(5), pp. 549-563.

Publisher

© Wiley

Version

  • AM (Accepted Manuscript)

Publisher statement

This work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/

Acceptance date

2016-12-13

Publication date

2017

Notes

This is the pre-peer reviewed version of the following article: HOLZER, B. ...et al., 2017. Color fine-tuning of pptical materials through rational design. ChemPhysChem, 18(5), pp. 549-563, which has been published in final form at https://doi.org/10.1002/cphc.201601204. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.

ISSN

1439-4235

eISSN

1439-7641

Language

  • en

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