Abstract
Two novel wide-energy-gap molecules, 1,3-bis(9-phenyl-9H-fluoren-9-yl)benzene (mDPFB) and 1,4-bis(9-phenyl-9H-fluoren-9-yl)benzene (pDPFB), suitable for blue phosphorescent host materials, were designed and prepared. The thermal, photophysical, and electrochemical properties as well as electroluminescence characteristics were fully investigated. Both mDPFB and pDPFB possess high singlet (4.0 eV) and triplet (2.8 eV) energies, well energy-matched with the deep-blue phosphorescent dopant, iridium(III) bis(4′,6′-difluorophenylpyridinato)tetrakis(1-pyrazolyl)borate (FIr6). The single crystals of the newly synthesized compounds mDPFB and pDPFB were grown, and their crystal structures were determined by X-ray diffraction. Both molecules adopt a rigid twisted tetrahedral crystallographic conformation, and no facial to facial π−π stacking exists in the solid state. The substituents at the 1,4-positions of benzene enhance the twisted degree of the fluorenyl rings and have predominant influence on the thermal and m...
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