Computational design of a molecular triple photoswitch for wavelength-selective control

Chong Yang; Chavdar Slavov; Hermann A. Wegner; Josef Wachtveitl; Andreas Dreuw

doi:10.1039/C8SC03379J

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Computational design of a molecular triple photoswitch for wavelength-selective control†

Chong Yang,^a Chavdar Slavov,

^b Hermann A. Wegner,

^c Josef Wachtveitl

^b and Andreas Dreuw

*^a

Author affiliations

* Corresponding authors

^a Interdisciplinary Center for Scientific Computing, Heidelberg University, Im Neuenheimer Feld 205A, 69120 Heidelberg, Germany
E-mail: dreuw@uni-heidelberg.de

^b Institute for Physical and Theoretical Chemistry, Goethe University, Max-von-Laue Str. 7, 60438 Frankfurt am Main, Germany

^c Institute of Organic Chemistry, Justus Liebig University Giessen, Heinrich-Buff-Ring 17, 35392 Giessen, Germany

Abstract

A small single molecule with multiple photoswitchable subunits, selectively and independently controllable by light of different wavelengths, is highly attractive for applications in multi-responsive materials and biological sciences. Herein, triple photoswitches are presented consisting of three independent azobenzene (AB) subunits that share a common central phenyl ring: the meta-trisazobenzenes (MTA). It is the unique meta-connectivity pattern leading to decoupling of all azo-subunits although they do overlap spatially. Based on this pattern, we design a triple MTA photoswitch, as proof-of-principle, with three different, electronically independent AB branches on the computer, which can be individually photo-excited to trigger ultra-fast E → Z isomerization at the selected AB branch.

This article is part of the themed collection: 2018 Chemical Science HOT Article Collection

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Article information

DOI: https://doi.org/10.1039/C8SC03379J
Article type: Edge Article
Submitted: 30 Jul 2018
Accepted: 20 Sep 2018
First published: 21 Sep 2018
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry

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Chem. Sci., 2018,9, 8665-8672

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Computational design of a molecular triple photoswitch for wavelength-selective control

C. Yang, C. Slavov, H. A. Wegner, J. Wachtveitl and A. Dreuw, Chem. Sci., 2018, 9, 8665 DOI: 10.1039/C8SC03379J

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Chemical Science

Computational design of a molecular triple photoswitch for wavelength-selective control†

Abstract

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Computational design of a molecular triple photoswitch for wavelength-selective control

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