We analyze internal transition rates and the singlet-triplet energy gap of the thermally activated delayed fluorescence (TADF) molecule 3CzClIPN, which recently was introduced as an efficient photocatalyst. Distribution and origin of the non-monoexponential decays, which are commonly observed in TADF films, are revealed by analysis of transient fluorescence with an inverse Laplace transform. A numerically robust global rate fit routine, which extracts all relevant TADF parameters by modeling the complete set of data, is introduced. To compare and verify the results, all methods are also applied to the well-known 4CzIPN. The influence of the molecular matrix is discussed by embedding low concentrations of TADF molecules in polystyrene films. Finally, quantum chemical calculations are compared to the experimental results to demonstrate that the chlorine atom increases the charge transfer character of the relevant states, resulting in a reduction of the singlet-triplet energy gap.
Getting the Right Twist: Influence of Donor-Acceptor Dihedral Angle on Exciton Kinetics and Singlet-Triplet Gap in Deep Blue Thermally Activated Delayed Fluorescence Emitter
Measurement of Coherent Vibrational Dynamics with X-ray Transient Absorption Spectroscopy Simultaneously at the Carbon K- and Chlorine L$_{2,3}$- Edges
Enhanced Third-Order Optical Nonlinearity in a Dipolar Carbene-Metal-Amide Material with Two-Photon Excited Delayed Fluorescence
the University of Manchester（曼彻斯特大学）；University of Cambridge（剑桥大学）；Université de Namur（那慕尔大学）；University of Eastern Finland（芬兰东部大学）；University of Pisa（比萨大学）；University of Bordeaux（波尔多大学）
Force-induced Catastrophes on Energy Landscapes: Mechanochemical Manipulation of Downhill and Uphill Bifurcations Explains Ring-opening Selectivity of Cyclopropanes
From orbital analysis to active learning: an integrated strategy for the accelerated design of TADF emitters
Department of Physics, Faculty of Science, University of Yaounde I（雅温得第一大学理学院物理系）；Department of Physics, Faculty of Science, University of Douala（杜阿拉大学理学院物理系）
