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Updated: Jun 10, 2026

High Resolution Phonon-assisted Quasi-resonance Fluorescence Spectroscopy
Published on: June 28, 2016
Nonlinear optical properties of flavylium salts: a quantum chemical study
Elena Bogdan1, Léa Rougier, Laurent Ducasse
1Institut des Sciences Moléculaires, Université de Bordeaux, 351 Cours de la Libération, F-33405 Talence, France.
Abstract:
Ab initio calculations have been carried out to unravel the relationships between the structure and the first hyperpolarizability in flavylium derivatives, with the aim to design efficient second-order nonlinear optical (NLO) switching compounds. Large contrasts of the first hyperpolarizability have been obtained along the pH-controlled and photoinduced transformations for specific combinations of chemical substituents in the 4'- and 7-positions, which demonstrates that these multistate systems should behave as highly efficient molecular NLO switches.
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