Spiro ring derivatives, polymers, mixtures, compositions and organic electronic devices
A technology of organic electronic devices and derivatives, applied in the field of new organic optoelectronic materials
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Embodiment 1
[0182] The synthesis of embodiment 1, compound (2-3)
[0183]
[0184] Under a nitrogen atmosphere, (23.7g, 60mmol) of compound (2-3-1) and 300mL of anhydrous tetrahydrofuran were added to a 500mL three-necked flask, cooled to -78°C, and (60mmol) n-butyllithium was slowly added dropwise, After the dropwise addition, keep the temperature and react for 1.5 hours, add (2.64g, 30mmol) ethyl formate at one time, allow the reaction to rise to room temperature naturally, react for 12 hours, add 20mL of water, stir the reaction for 0.5 hours, stop the reaction, and dissolve the reaction solution Most of the solvent was evaporated by rotary evaporation, washed with dichloromethane dissolved in water for 3 times, and the organic liquid was collected and mixed with silica gel to pass through a column for purification, with a yield of 50%.
[0185]
[0186] Add (13.2g, 20mmol) of compound 3-1-3, (4.3g, 20mmol) of pyridinium chlorochromate (PCC) and 80mL of dichloromethane into a 150...
Embodiment 2
[0191] Embodiment 2, the synthesis of compound (3-1)
[0192]
[0193] Under nitrogen atmosphere, add (14.2g, 60mmol) 1,4-dibromobenzene and 150mL anhydrous tetrahydrofuran into a 500mL three-neck flask, cool down to -78°C, slowly add (60mmol) n-butyl lithium dropwise, dropwise After the addition, keep the temperature and react for 1.5 hours, add (2.64g, 30mmol) ethyl formate at one time, let the reaction rise to room temperature naturally, react for 12 hours, add 20mL of water, stir the reaction for 0.5 hours, stop the reaction, and rotate the reaction solution Most of the solvent was evaporated, washed with dichloromethane for 3 times, and the organic liquid was collected and mixed with silica gel to pass through a column for purification, with a yield of 60%.
[0194]
[0195] Add (10.3g, 30mmol) of compound 3-1-3, (6.5g, 30mmol) of pyridinium chlorochromate (PCC) and 60mL of dichloromethane into a 150mL single-necked bottle, stir and react at room temperature for 4 h...
Embodiment 3
[0202] Embodiment 3, the energy structure of organic compound
[0203] The energy levels of organic materials can be obtained through quantum calculations, such as using TD-DFT (time-dependent density functional theory) through Gaussian03W (Gaussian Inc.). For specific simulation methods, please refer to WO2011141110. First, the semi-empirical method "Ground State / Semi-empirical / Default Spin / AM1" (Charge 0 / Spin Singlet) is used to optimize the molecular geometry, and then the energy structure of organic molecules is determined by the TD-DFT (time-dependent density functional theory) method Calculate "TD-SCF / DFT / Default Spin / B3PW91" and the basis set "6-31G(d)" (Charge 0 / Spin Singlet). The HOMO and LUMO energy levels are calculated according to the calibration formula below, and S1 and T1 are used directly.
[0204] HOMO(eV)=((HOMO(G)×27.212)-0.9899) / 1.1206
[0205] LUMO(eV)=((LUMO(G)×27.212)-2.0041) / 1.385
[0206] Among them, HOMO(G) and LUMO(G) are the direct calculation r...
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