2,6-二取代苯并二噁唑的研究(Ⅳ)——2,6-二苯乙烯基苯并二噁唑及其对位衍生物的HMO计算及光谱的取代基效应

RESEARCH ON 2,6-DISUBSTITUTED BENZO-BISOXAZOLES(Ⅳ)——THE HMO CALCULATION AND THE SUBSTITUENT EFFECT ON THE SPECTRA OF 2,6-DISTYRYL-BENZO-BISOXAZO-LES AND THEIR PARA-SUBSTITUTED DERIVATIVES

本文用HMO方法计算处理了2,6-二苯乙烯基苯并[1,2d;4,5d']-二(口恶)唑和2,6-二苯乙烯基苯并[1,2d;5,4d']-二(口恶)唑和它们的各十种对位取代衍生物,得到它们的π电子能级与分子图,对其中一些化合物的紫外(UV)和荧光(FL)光谱的取代基效应也在HMO理论基础上进行了若干分析。

2,6-Distyryl-benzo[l,2d;4,5d’]bisoxazoles,2,6-Distyryl-benzo[l,2d;5,4d/]bisoxazoles,and some of their para substituted derivatives were treated with HMO method.The relevant energy levels and molecular diagrams were obtained.The substituent effect on UV absorption spectra and FL emission spectra were analyzed and approached by some quantum chemistry methods on the basis of HMO theory.