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.
Tonnelé, C., Champagne, B., Muccioli, L., Castet, F. (2018). Second-order nonlinear optical properties of Stenhouse photoswitches: Insights from density functional theory. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 20(43), 27658-27667 [10.1039/c8cp05843a].
Second-order nonlinear optical properties of Stenhouse photoswitches: Insights from density functional theory
Muccioli, Luca
;
2018
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
