Issue 11, 2019

Nonlinear optical properties of spirocyclohexadine photochromes: insights from DFT calculations

Abstract

The second-order nonlinear optical properties of 1,3-indandione-derived spirocyclohexadine compounds, a new class of photochromes showing sensitivity to both UV and visible lights, are investigated by means of density functional theory. The calculations predict that these compounds should display a large first hyperpolarizability variation upon commutation between their cyclic spiropyran and their merocyanine form. We also show that significant enhancement of the NLO response of the merocyanine form, as well as of the NLO contrast, can be achieved by means of appropriate chemical substitution, which makes these derivatives highly appealing for potential use in photo-responsive NLO devices.

Graphical abstract: Nonlinear optical properties of spirocyclohexadine photochromes: insights from DFT calculations

Supplementary files

Article information

Article type
Paper
Submitted
30 Jul 2019
Accepted
06 Sep 2019
First published
10 Sep 2019

Photochem. Photobiol. Sci., 2019,18, 2759-2765

Nonlinear optical properties of spirocyclohexadine photochromes: insights from DFT calculations

C. Tonnelé and F. Castet, Photochem. Photobiol. Sci., 2019, 18, 2759 DOI: 10.1039/C9PP00312F

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