苯基/吡啶基取代的HAT衍生物的LUMO/HOMO递变规律  

LUMO/HOMO LEVEL OF FOUR HEXAAZATRIPHENYLENE(HAT) DERIVATIVES WITH PHENYL AND PYRIDYL GROUPS

作　　者：张晓红[1] 杨磊[1] 于智睿[1] 李轶[1] 刘珊珊[1] 

机构地区：[1]天津出入境检验检疫局工业产品安全技术中心,天津300308

出　　处：《离子交换与吸附》2015年第5期430-437,共8页Ion Exchange and Adsorption

基　　金：国家质量监督检验检疫总局质检公益性行业科研专项(No.201310067);国家质量监督检验检疫总局科技计划项目(No.2014IK276)

摘　　要：以均三氯苯与1,2-二酮为原料,合成了4种已报道的对不同金属离子具有荧光识别效应的三亚吡嗪衍生物1~4。通过1H-NMR,MS,FT-IR等对其结构进行了表征。紫外可见光谱和循环伏安测试表明,随着苯基、吡啶基数目的变化,测试曲线也有相应的变化。计算的LUMO/HOMO能级表明,从化合物1到4随着苯基数目的增多,吡啶基数目的减少,化合物间的能隙逐渐减小,LUMO与HOMO能级均逐渐升高。Four hexaazatriphenylene(HAT) derivatives as fluorescence sensors for different ions were synthesized by the condensation reaction of 1,2-diamines and 1,2-diketones, the structures of which were characterized by 1H NMR, MS and FT-IR, respectively. The results obtained by normalized UV-Vis absorption spectra and cyclic voltammograms of compound 1~4 showed that with the change of the number of phenyl and pyridyl groups, the curves also had corresponding change. The calculation results of LUMO/HOMO level indicated that with increase of phenyl groups and decrease of pyridyl groups, the energy gap of compound 1~4 decreases gradually, while LUMO/HOMO levels were increased gradually.

关 键 词：三亚吡嗪衍生物 荧光识别效应 LUMO与HOMO能级 紫外可见光谱 循环伏安 

分 类 号：O626[理学—有机化学]