Synthesis, Characterization And Luminescence Properties Of Coordination Compounds Based On Benzotriazole Derivatives

Organic metal coordination compounds became a very active research field because of itspotential application in electroluminescence. Benzotriazole and its derivatives with an azole ring inmolecule are very important compounds, because a multidentate bridging ligand, three N atoms onazole ring in molecule can afford many coordination modes and coordinate with different metal ions.Therefore, benzotriazole and its derivatives attracted more attention because of potential fluorescenceemission.In this thesis, two ligands （1H-benzo[d][1,2,3]triazol-1-yl）methyl pivalate（BTMP） and（1H-benzo[d][1,2,3]triazol-1-yl）methyl benzoate（BTMB） were synthesized. Using them as ligands,new coordination compounds were synthesized by reacting with different metal ions in the EtOH,such as AgNO₃, CuCl₂·2H₂O, FeCl₃·6H₂O, Ni（NO₃）₂·6H₂O and ZnCl₂. Ligands of BTMP and BTMBand their coordination compounds were characterized by elemental analysis, infraredspectroscopy（IR）, nuclear magnetic resonance（1HNMR）, X-ray diffraction apparatus.The compound （BTMP）₂·AgNO₃crystallizes in the orthorhombic space group Pbca.The unit cellcontains eight identical （BTMP）₂·AgNO3molecules.（BTMB）₂·AgNO₃crystallizes in the triclinicspace group P-1. The unit cell contains four identical （BTMB）₂·AgNO₃molecules.Cations, such as Ag⁺, Zn²⁺, Cu²⁺, Fe²⁺, Ni²⁺, Co²⁺, Cd²⁺, Fe³⁺and Cr³⁺ions, were added toBTMP and BTMB ethanol solution. The influences of different cations on the fluorescence intensitieswere investigated. Compared with those of free BTMP and BTMB, the fluorescence intensity ofBTMP was increased7times and that of BTMB was increased12times by Ag+ion. Oppositely, thefluorescence intensity of BTMP was decreased8times and the fluorescence intensity of BTMB wasdecreased10times by Fe³⁺ion. Finally, HOMO-LUMO of （BTMB）₂·AgNO₃were calculated by thequantum chemistry calculation method, and the emission process was assigned to metal-ligandcharge-transfer （MLCT） transition. The cyclic voltammetry curve of （BTMB）₂·AgNO₃was measuredby the electrochemical workstation and the energy level of HOMO/LUMO were calculated.