Compounds, light-emitting material, device, and display device
A technology of luminescent materials and compounds, which is applied in the fields of luminescent materials and devices, compounds, and display devices, and can solve problems such as poor stability of phosphorescent devices, roll-off of phosphorescent material efficiency, and unfavorable mass production.
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preparation example Construction
[0149] The preparation method of the compound of the present invention is explained below.
[0150] Synthesis Example 1
[0151] Synthesis of compound P1:
[0152]
[0153] Dissolve S1 (1 mmol) and S2 (3 mmol) in a mixed solvent of THF and NEt3 under nitrogen protection, add Pd catalyst and Cu catalyst, heat to reflux, and react for 5 h. After the reaction was completed, it was cooled to room temperature, all the solvent was distilled off under reduced pressure, and the crude product was collected. The crude product was purified by silica gel column chromatography, using a mixed solvent of n-hexane:chloroform (5:1) as eluent, and finally purified to obtain solid S3 (0.78 mmol, 78%).
[0154] MALDI-TOF MS: C34H36Si3, m / z calculated: Mol. Wt.: 528.91; found: 528.21.
[0155]
[0156] Under the protection of nitrogen, dissolve S3 (1mmol) in THF at -78°C, add LiNaPh dropwise, and react for half an hour, dilute Ph3SiCl, ZnCl2, TMEDA in a small amount of THF solution, drop ...
Embodiment 1～6
[0265] Using density functional theory (DFT), for compounds P1, P20, P32, P52, P53, and P54, the distribution of molecular frontier orbitals was optimized and calculated using the Gaussian09 program package at the B3LYP / 6-31G(d) calculation level At the same time, based on time-dependent density functional theory (TDDFT), the lowest singlet energy level S1 and the lowest triplet energy level T1 of the molecule were simulated and calculated.
[0266] The relevant data of Examples 1-6 are shown in Table 1. Table 1, S 1 represents the singlet energy level, T 1 Indicates the triplet energy level, and Eg indicates the HOMO-LUMO energy level difference.
[0267] Table 1 Simulation calculation results of six compounds
[0268]
[0269] It can be seen from the results in Table 1 that the compounds of the present invention have suitable HOMO and LUMO values, and are suitable as host materials or dopant materials.
[0270] Compounds P1, P20, P32, P52, P53, and P54 were used as lu...
PUM
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