文章摘要
4-羟基二芳基希夫碱紫外吸收中的溶剂效应
Solvent effects on ultraviolet absorption of 4-hydroxyl diaryl Schiff base
  
DOI:
中文关键词: 紫外吸收光谱  取代基效应  溶剂效应  羟基希夫碱
英文关键词: ultraviolet absorption spectrum  substituent effect  solvent effect  hydroxyl Schiff base
基金项目:国家自然科学基金资助项目(21672058);湖南省科研创新基金资助项目(CX201613537)
作者单位
张景远,曹晨忠 湖南科技大学 化学化工学院,理论有机化学与功能分子教育部重点实验室 分子构效关系湖南省普通高等学校重点实验室,湖南 湘潭 411201 
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中文摘要:
      合成了6个模型化合物4-HO-4’-X-N-(苯亚甲基)苯胺,经1H NMR和13C NMR进行了分子结构确认.测定了化合物在6种溶剂中的紫外吸收.探讨了取代基和溶剂对其紫外吸收光谱最大吸收波长对应能量νmax的影响.结果表明,基团X对νmax的影响,由取代基基态极性参数σp和激发态取代基参数σexCC共同决定;溶剂对νmax的影响,由溶剂在水/正辛醇中分配系数的对数logP和溶剂显色效应参数ET(30)共同表达.此外,二甲亚砜对目标化合物还存在特殊的溶剂效应.
英文摘要:
      Six samples of model compounds 4-HO-4’-X-N-(benzylidene)-anilines were synthesized and their molecular structures were identified by 1H NMR and 13C NMR. Their ultraviolet absorption spectra were measured in six kinds of solvents. The effects of substituents and solvents on the energies νmax of longest wavelength maximum of ultraviolet absorption spectra were discussed. The research results show that the substituent effect of X on the νmax is dominated by polar substituent constant σ and excited-state substituent parameterσexCC. While the solvent effect on the νmax is dominated by the n-octanol/water partition coefficient (logP) and the solvatochromic dye (ET(30)). Besides the logP and ET(30), there is a special solvent effect of dimethyl sulfoxide on the νmax.
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