Experimental and Theoretical Studies on The Photophysical Properties of OLED Molecules

• Main Authors: Hsiao-An Pan, 潘校安
• Other Authors: Pi-Tai Chou
• Format: Others
• Language: en_US
• Published: 2012
• Online Access: http://ndltd.ncl.edu.tw/handle/22938044769327830098

碩士 === 國立臺灣大學 === 化學研究所 === 100 === The first chapter is synthesis of a series of Ir(III) complexes with phosphite (or phosphonite) tripodal dicyclometalates. And all the Ir(III) complexes, virtually no emission can be observed in either solution at room temperature or 77 K CH2Cl2 matrix. Time-dependent DFT calculation indicates that the lowest energy triplet manifold involves substantial amount of metal centered 3MC dd contribution. Due to its repulsive potential energy surface (PES) that touches the PES of ground state, the 3MC dd state executes predominant nonradiative deactivation process. The second chapter is preparation and characterization of a new class of emissive Os(II) complexes The resulting Os(II) complexes, except for 5 , all show bright emission spanning visible region from green to saturated red, and their structural versus spectroscopic properties have been comprehended by absorption/emission together with computational approaches. The result predicts the occurrence of dominant radiationless quenching process from the 3MC dd state, consistent with the lack of emission observed experimentally. As for complex 4 , due to the relatively small energy gap between 3MC dd and 3MLCT/pipi∗ states, thermal population (from 3MLCT/pipi∗ ) to the 3MC dd state is possible, giving the weak emission. The third chapter is using 7-hydroxy-1-indanone as a prototype(I), which exhibits excited-state intramolecular proton transfer (ESIPT), chemical modification has been performed by fusing benzene(II) and naphthalene rings(III), based on a provident balance between destruction of aromaticity and compensation of pi-conjugation. As a result, the white light generation is achieved with a single ESIPT system. And the emission character is also studied by theoretical computation.