Metal organic framework (MOF) yellow phosphors and their applications in white light emitting devices
A metal-organic framework, organic ligand technology, applied in semiconductor devices of light-emitting elements, 2/12 group organic compounds without C-metal bonds, optical elements for changing the spectral characteristics of emitted light, etc. And other issues
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[0093] 1. Computational screening of fluorescent ligands
[0094] The emission properties of a range of organic molecules were evaluated using density functional theory (DFT) calculations. Calculations were performed using the Guassian 09 suite of programs. Apply B3LYP 2-4 Hybrid functionals and DGDZVP basis sets. Corrected bandgap (E 校正 ) is the experimental bandgap based on tcbpe. From Table 2, the possible yellow emission candidates are tcbpe, tcbpe-F, ttzbpe and tctpe.
[0095] Table 2. Computational studies of the luminescent properties of potential ligands
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[0100] 2. Ligand Synthesis
[0101] A general synthesis of tpe-based ligands can be found in Scheme 1. The starting material tpe-Br was synthesized according to the reported method (V.S.Vyas, M. Banerjee and R. Rathore, Tetrahedron Letters, 2009, 50, 6159-6162).
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[0103] Reaction Scheme 1. General Synthesis of TPE-Based Ligands
[0104] The synthesi...
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