Syntheses, EL Properties And Quantum Chemistry Theoritical Studies Of Phenol Pyrimidine Ligand And Its Complexes

Electroluminescent devices based on organic materials are of considerable interest owing to their attractive characteristics and potential applocations to flat panel displays as well as from the standpoint of scientific interest, because of low voltage driving, high brightness, capabolity of multicolour emission by the selection of emitting materials and easy fabrication of large-area and thin-film devices. Small molecular materials are described with emphasis on their material issues pertaining to charge transport, color, and luminance efficiencies. In this thesis, we synthesized the materials based on hydroxyphenylpyridine complexes, prepared the Electroluminescent devices of the highly efficient white and red OLEDs, and investigated the effect to cattier mobility on the solid-state intermolecular interaction.2-(2-methoxyphenyl)pyrimidine (1) and 2-(pyrimidin-2-yl)phenol (2) were synthesized via Grigrard reaction. Two colorless crystals were prepared by solvent diffusion. Compounds were characterized in structure and properties by element analysis, IR spectrum, NMR spectrum, UV/vis spectrum, fluorescent spectrum, single-crystal diffraction, electrochemical analysis, and so on. It has a significance on discussing the relationship between the molecular structure and molecular congregate structure and materials properties. There are rich hydrogen types existing in compound 1, with C–H???O, C–H???Cl, N–H???Cl, O–H???Cl, and intermolecularÏ€???Ï€interaction to give a three dimensional supramolecular network. Notablely, there is a supramolecular pore consisting of four 2-(2-methoxyphenyl)pyrimidine in this structure. Water molecules and chlorine anions are occupied in the pores to generate four-membered and six-membered rings. Furthermore, a ladder-like chain was formed via edge-sharing. However, due to the weak C–H???O intermolecular interactions and theÏ€???Ï€interactions, compound 2 give a three-dimensional supramolecular network. Interestingly, there is two intersecting-conjugate-chains existing in the framework with the angle of 27°. It has a stronger fluorescent emission both in solid-state and solution for compound 1. However, there is no fluorescent emission when it is detected at room temperature for 2. But in methanol, there are two emission peaks, ranging from 390 to 460 nm, and one shoulder peaks. The CV curve shows that the reduction potential is involved in their structures and the electron effect.Compound [Zn(PP)₂] (3) and compound [Be(PP)₂] (4) were obtained by the reaction of the two ligands with Zn²⁺ and Be²⁺, respectively. Compound 4 was characterized in structure and properties by element analysis, IR spectrum, NMR spectrum, UV/vis spectrum, fluorescent spectrum, electrochemical analysis, and so on. The result shows that compound 4 is a well-performance luminescent materials, ranging from 410 to 570 nm with a broader. EL spectrum. The near white electroluminescent device 1 with CIE coordinates (0.37, 0.39) was prepared by using compound 4 as luminescent layer. To use porphyrin-zinc complex containing OPV unit, we obtained the near red electroluminescent device 2, which was co-emiting with AlQ. To utilize the organic small molecular [S-OPV] containing OPV as the luminescent layer, we investigated the effect on luminescent apex, color purity, brightness, driving voltage of different device structures and doping concentration in detail. we got a red luminescence of 1000cd/m² with divice7 at a doping concentration of 1%.