The triphenylamine was taken as electron donor groups,styrene as conjugated bridge and cyanoacrylic acid as electron acceptor connected and dye molecules model as the basis of the experimental data,through the Gaussian 09 software were simulation of the "A" structure of the anchoring groups.Through the design of three different groups of dye molecule model,and then through the calculation of the data to compare,a theoretical conversion efficiency of the model was gotten.%以三苯胺作为电子供体基团、苯乙烯作为共轭π桥和氰基丙烯酸作为电子受体所连接而成的染料分子模型作为实验数据基础,通过高斯09软件进行了对“A”结构即锚定基团的模拟.通过设计出的三个含有不同基团的染料分子模型,然后通过数据计算进行对比,得出了一个理论转化效率最高的染料分子模型.
展开▼
