2,6-二取代苯并二噁唑的研究(Ⅱ)——2,6-二苯基苯并二噁唑及其对位取代衍生物的HMO计算及其光谱的取代基效应  

RESEARCH ON 2,6-DISUBSTITUTED BENZO-BISOXAZOLES-Ⅱ-THE HMO CALCULATION AND THE SUBSTITUTENT EFFECT ON THE SPECTRA OF 2,6-DIPHENYL-BENZO-BISOXAZOLES AND THEIR PARA-SUBSTITUTED DERIVATIVES

作　　者：蔡遵生[1] 林少凡[1] 赵学庄[1] 高振衡[1] Cai Zunsheng;Lin Shaofan;Zhao Xuezhuang;Kao Chenheng(Department of Chemistry,Nankai University,Tianjing)

机构地区：[1]南开大学化学系

出　　处：《高等学校化学学报》1981年第4期463-470,共8页Chemical Journal of Chinese Universities

摘　　要：本文对几种2,6-二苯基苯并二噁唑及其对位衍生物进行了HMO计算,得到有关π电子能级和分子图,并对其紫外吸收和荧光光谱的取代基效应结合简单分子轨道理论进行了分析。2,6-Diphenyl benzo-[l,2d;4,5d’]-bisoxazoles,2,6-diphenyl benzo-[1,2d;5,4d’]-bisoxazoles,as well as some of their parasubstituted derivatives were treated with HMO method.The relevantπenergy levels and molecular diagrams were obtained.The substituent effects on UV absorption spectra and FL emission spectra were analyzed and approached by some quantum chemistry methods on the basis of HMO theory.

关 键 词：取代基效应 分子轨道理论 Π电子 荧光光谱 HMO计算 (Ⅱ) 二取代苯 噁唑 

分 类 号：O62[理学—有机化学]