Compound, luminescent material and device, and display device
A technology of luminescent materials and compounds, which is applied in the fields of compounds, display devices, luminescent materials and devices, and can solve the problems of phosphorescent material efficiency roll-off, high production cost, and poor stability of phosphorescent devices, etc.
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[0176] According to another aspect of the present invention, there is provided a preparation method of the compound as described above, comprising the following steps:
[0177] The activated benzocycloalkane group is reacted with the activated D unit and A unit respectively to obtain the compound.
[0178] Taking the preparation of compounds P1-P6, P19 and P21 as examples, the preparation method of the compound of the present invention will be described below.
[0179] Synthesis of Compound P1
[0180]
[0181] Weigh S1 (30mmol) into a 250mL two-necked flask, add 80mL of acetonitrile to dissolve S1, add dropwise an aqueous solution of HCl (volume ratio: 15mL:50mL), cool the reaction mixture to 0°C, and add the above mixture to NaNO 2 In an aqueous solution (35mmol:50mL), the reaction was carried out at a temperature lower than 5°C for 30min. The above reaction mixture solution was added to KI aqueous solution (44mmol:50mL). After the addition was completed, the reaction m...
Embodiment 1~8
[0306] figure 1 Shows the orbital arrangement of compound P1, where, figure 1 (a) is the HOMO energy level distribution diagram of compound P1, figure 1 (b) is the LUMO energy level distribution diagram of compound P1. From figure 1 It can be clearly seen that the HOMO and LUMO of compound P1 are arranged on different units, achieving complete separation, which helps to reduce the intersystem energy difference ΔE ST , so as to improve the reverse intersystem crossing ability.
[0307] Using density functional theory (DFT), for compounds P1-P6, P19, P21, using the Gaussian 09 program package at the calculation level of B3LYP / 6-31G(d), the distribution of molecular frontier orbitals was optimized and calculated; 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 calculated by simulation.
[0308] The relevant data of Examples 1-8 are shown in Table 1. It ...
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