文章摘要
取代基和溶剂对二苯并富烯紫外 吸收能量的影响
Effect of substituents and solvents on the UV spectra of Diphenylfulvens
  
DOI:
中文关键词: 二苯并富烯  紫外吸收光谱  取代基效应  溶剂效应
英文关键词: Diphenylfulvens  UV absorption spectra  substituents effect  solvents effect
基金项目:国家自然科学基金资助项目(21272063,21072053)
作者单位
魏佰影,曹晨忠 湖南科技大学 化学化工学院理论化学与分子模拟省部共建教育部重点实验室 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:
      取代基对二苯并富烯化合物紫外吸收光谱的影响可由取代基激发态参数σexCC和基态极性参数σp表达,用以上两参数比用σ+p单参数更准确.10多种性能不同的溶剂中对二苯并富烯化合物紫外吸收光谱的变化规律可以由σexCC,σp和溶剂显色参数ET(30)三参数共同表示,并且ET(30)比正辛醇/水中的分配系数logP表达溶剂效应更好.研究表明,二硫化碳可能不宜于作为溶剂来测定二苯并富烯化合物的紫外吸收光谱.
英文摘要:
      The effect of substituents on the UV absorption spectra of Diphenylfulvens was expressed by the substituents excited state parameter σexCC and ground state polarity parameter σp, and the obtained result was more accurate from the above two parameters than from the single parameter σ+p. The change rule of UV absorption spectrum of Diphenylfulvens in more than 10 kinds of different solvents was expressed by using three parameters, σexCC, σp and the solvatochromic dye ET(30), and the ET(30) was better than the n-octanol/water partition coefficient logP in scaling the solvent effect. Research shows that carbon disulfide may be an unsuitable solvent for determining the UV absorption spectrum of Diphenylfulvens.Key words: Diphenylfulvens; UV absorption spectra; substituents effect; solvents effect
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