有机化学 ›› 2000, Vol. 20 ›› Issue (4): 537-541. 上一篇    下一篇

研究论文

溶剂效应的TLSER描述及其在几类异构化反应中的应用

邹建卫;商志才;易平贵;俞庆森;林瑞森   

  1. 浙江大学化学系.杭州(310027)
  • 发布日期:2000-08-25

Studies on the solvent effects of four isomerization reactions by using theoretical descriptors

Zou Jianwei;Shang Zhicai;Yi Pinggui;Yu Qingsen;Lin Ruisen   

  1. Zhejiang Univ, Dept Chem.Hangzhou(310027)
  • Published:2000-08-25

建立了适合于描述党溶剂效应的理论线性溶剂化能相关(TLSER)模型。并用该模型对四类异构化反应在不同溶剂下的反应自由能或活化自由能与溶剂的分子结构之间的关系进行了研究,确证了模型的合理性。

关键词: 溶剂效应, 异构化, 理论线性溶剂化能相关

Theoretical linear solvation energy relationship(TLSER) which can be used to predict the relationship between physicochemical property and molecular structures of the solvents has been established. Solvation effects of four isomerization reactions have been inverstigated by using the TLSER model, The good correlation of QSPR equations verify the reasonability of the model.

Key words: SOLVENT EFFECT, ISOMERIZATION

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