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Issue 43, 2018
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Second-order nonlinear optical properties of Stenhouse photoswitches: insights from density functional theory

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Abstract

We report the first investigation of the second-order nonlinear optical (NLO) properties of donor–acceptor Stenhouse adducts (DASAs), an emerging class of colored photochromes that undergo photoswitching with visible light to a colorless form. By using time-dependent density functional theory, we provide insights into the relationships linking the nature of the chemical substituents to the amplitude and contrasts of the NLO response. Solvent and frequency dispersion effects are also analyzed. The calculations predict that DASAs behave as high contrast NLO switches, a finding that extends their potential applications to photo-responsive NLO materials and devices.

Graphical abstract: Second-order nonlinear optical properties of Stenhouse photoswitches: insights from density functional theory

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Publication details

The article was received on 16 Sep 2018, accepted on 22 Oct 2018 and first published on 22 Oct 2018


Article type: Paper
DOI: 10.1039/C8CP05843A
Citation: Phys. Chem. Chem. Phys., 2018,20, 27658-27667
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    Second-order nonlinear optical properties of Stenhouse photoswitches: insights from density functional theory

    C. Tonnelé, B. Champagne, L. Muccioli and F. Castet, Phys. Chem. Chem. Phys., 2018, 20, 27658
    DOI: 10.1039/C8CP05843A

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