Spectral Tuning and Photoisomerization Efficiency in Push–Pull Azobenzenes: Designing Principles
Flavia Aleotti, Artur Nenov, Luca Salvigni, Matteo Bonfanti, Mohsen M. T. El‐Tahawy, Andrea Giunchi, Marziogiuseppe Gentile, Claudia Spallacci, Alessia Ventimiglia, Giuseppe Cirillo, Lorenzo Montali, Stefano Scurti, Marco Garavelli, Irene Conti
Abstract
substituents. Finally, the torsional mechanism is recognized here as the unique productive route because structures with bending values attributable to the inversion mechanism were never detected, out of the 280 ππ* time-dependent density functional theory (RASPT2-validated) dynamics simulations.
Topics & Concepts
PhotoisomerizationIsomerizationQuantum efficiencyAzobenzeneQuantum yieldChemical physicsMaterials scienceQuantumPhotochemistryBendingMolecular physicsOptoelectronicsChemistryOpticsPhysicsFluorescenceMoleculeQuantum mechanicsBiochemistryCatalysisComposite materialPhotochromic and Fluorescence ChemistryPhotoreceptor and optogenetics researchSupramolecular Self-Assembly in Materials