A new mechanistic study of a second generation TADF material based on the path integral approach incorporating Herzberg–Teller and Duschinsky rotation effects
Lingling Lv, Kun Yuan, Tianyu Zhao, Yongcheng Wang
Abstract
Quantitative predictions of the photophysical processes for a next generation thermally activated delayed fluorescence molecule are calculated by considering the Herzberg–Teller and the Duschinsky rotation effects within a multimode harmonic oscillator model.
Topics & Concepts
Rotation (mathematics)Multi-mode optical fiberMaterials scienceMoleculeHarmonicHarmonic oscillatorMolecular physicsQuantum mechanicsPhysicsOpticsGeometryMathematicsOptical fiberOrganic Light-Emitting Diodes ResearchPhotochemistry and Electron Transfer StudiesLanthanide and Transition Metal Complexes