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合成了5,10,15,20-四(对癸烷氧苯基)-β-硝基卟啉镍(1)以及5,10,15,20-四(对癸烷氧苯基)-6’-硝基喹喔啉[2,3-b’]卟啉镍(2),并通过核磁共振氢谱、红外光谱、质谱、元素分析等分析方法表征了它们的结构.由于β-位的取代,不但使化合物1和2的最大吸收较5,10,15,20-四(对癸烷氧苯基)卟啉镍(3)发生了红移,而且化合物1和2的第一氧化电位均大于化合物3.利用差示扫描量热法(DSC)研究了化合物1和2的液晶行为,结果表明:只有化合物1具有液晶性,其液晶行为表现为升温单变液晶,液晶相变温度始于77℃,相变区间为41℃.通过原子力显微镜(AFM)观察化合物1和2在硅基底上自组装薄膜的形貌,结果表明:化合物1的成膜性和有序性更好.利用密度泛函理论研究化合物1和2的优化几何构型与前线轨道分布,其结果与紫外可见光谱,DSC,AFM的结果一致.
Synthesis of 5,10,15,20-tetrakis (p-decenoxyphenyl) -β-nitroporphyrin nickel (1) and 5,10,15,20-tetrakis (p-deceodecyloxyphenyl) -6 ’-nitroquinoxaline [2,3-b’] porphyrin nickel (2), and their structures were characterized by 1H NMR, IR, MS and elemental analysis. , Not only red-shifted the maximum absorption of compounds 1 and 2 from that of 5,10,15,20-tetrakis (p-decenoxyphenyl) porphyrin nickel (3), but also the first oxidation potentials of compounds 1 and 2 Were larger than that of compound 3. The liquid crystal behavior of compounds 1 and 2 was studied by differential scanning calorimetry (DSC). The results show that only compound 1 has liquid crystallinity and its liquid crystal behavior is as follows: temperature rising single liquid crystal, liquid crystal phase transition temperature The phase transition was 41 ℃ at 77 ℃ .The morphologies of the self-assembled films of compounds 1 and 2 were observed by atomic force microscopy (AFM). The results showed that the film-forming properties and the orderliness of compound 1 were better. Density functional theory (DFT) was used to investigate the optimized geometry and frontier orbital distributions of compounds 1 and 2. The results were consistent with the results of UV-Vis, DSC and AFM.