Modular design strategies for TADF emitters : towards highly efficient materials for OLED application / Fabian Hundemer.

Intro
Abstract
1 Introduction
1.1 Organic Light-Emitting Diodes (OLEDs)
1.1.1 Working Principle and Architecture of OLEDs
1.2 Thermally Activated Delayed Fluorescence (TADF)
1.2.1 Working Principle of TADF
1.2.2 History of TADF
1.2.3 Molecular Design Strategies for TADF Emitters
1.2.3.1 Twist-Induced Charge Transfer
1.2.3.2 Through-Space Induced Charge Transfer
1.2.3.3 Multi-Resonance Effect
1.2.4 Molecular Design Towards Efficient OLEDs
1.2.4.1 Host-Free TADF-OLEDs
1.2.4.2 Aggregation-Induced Emission
1.2.4.3 Orientation Controlled Emitters
2 Objective
3 Results and Discussion
3.1 Derivatization of the 4CzIPN TADF System
3.1.1 Tetrazole Derivatives
3.1.1.1 Synthesis
3.1.1.2 DFT Calculations
3.1.1.3 Basic Photophysical Characterization
3.1.1.4 Advanced Photophysical Characterization
3.1.1.5 OLED Fabrication
3.1.1.6 Bioconjugation
3.1.2 Oxadiazole Derivatives
3.1.2.1 Synthesis
3.1.2.2 DFT Calculations
3.1.2.3 Basic Photophysical Characterization
3.1.2.4 Advanced Photophysical Characterization
3.1.2.5 OLED Fabrication
3.1.2.6 Exciton Transport
3.1.3 Benzothiazole Derivatives
3.1.3.1 DFT Calculations
3.1.3.2 Synthesis
3.2 TADF Emitters based on the Phthalimide Acceptor System
3.2.1 Synthesis
3.2.1.1 Acceptormodification
3.2.1.2 Donormodification
3.2.1.2.1 Functionalization by an Organometallic Approach
3.2.1.2.2 Functionalization by Friedel-Crafts Reaction
3.2.1.2.3 Functionalization by Suzuki Cross-Coupling
3.2.1.2.4 Pre-functionalization and other Donor Groups
3.2.2 DFT Calculations
3.2.3 Basic Photophysical Characterization
3.3 Tristriazolotriazine (TTT) as Acceptor Core
3.3.1 Synthesis
3.3.1.1 Variation on the Donor Type, Count and Arrangement
3.3.1.2 Variations on the Phenylene Spacer.

3.3.1.3 Synthesis of the Tetrazole Precursors
3.3.1.4 Synthesis of the TTT Emitters
3.3.1.5 Isomerization of the TTT Core
3.3.1.6 Expanding the Concept to MTT and BTT
3.3.2 Physical Properties
3.3.3 DFT Calculations
3.3.4 Structural Investigations
3.3.5 Photophysical Characterization
3.3.6 OLED Fabrication
4 Summary and Outlook
4.1 Derivatization of the 4CzIPN TADF System
4.1.1 Outlook for 4CzIPN Derivatives
4.2 TADF Emitters based on the Phthalimide Acceptor System
4.2.1 Outlook for Phthalimide-based TADF Emitters
4.3 Tristriazolotriazine (TTT) as Acceptor Core
4.3.1 Outlook for Tristriazolotriazines
5 Experimental Section
5.1 General Remarks
5.1.1 Materials and Methods
5.1.2 Advanced Optoelectronic Data
5.1.2.1 Tetrazole Derivatives
5.1.2.2 Oxadiazole Derivatives
5.1.2.3 Phthalimide-based TADF Emitter Project
5.1.2.4 Tristriazolotriazine (TTT) Project
5.1.3 Reaction Procedures and Analytical Data
5.1.3.1 Derivatization of the 4CzIPN TADF System Project
5.1.3.2 Phthalimide-based TADF Emitter Project
5.1.3.3 Tristriazolotriazine (TTT) Project
5.2 Crystal Structures
5.2.1 Crystallographic Data Solved by Dr. Martin Nieger
5.2.2 Crystallographic Data Solved by Dr. Olaf Fuhr
6 List of Abbreviations
7 Bibliography
8 Appendix
8.1 Curriculum Vitae
8.2 List of Publications
8.3 Acknowledgements.