高等学校化学学报

高等学校化学学报 ›› 1996, Vol. 17 ›› Issue (12): 1934.

• 研究简报 • 上一篇    下一篇

用1H NMR相对化学位移计算CyDTA金属配合物乙羧基键合几率的方法

宋瑞方, 李菲, 刘广民, 毛友钢   

  1. 吉林大学理论化学研究所、分子光谱与分子结构开放实验室, 长春, 130023
  • 收稿日期:1995-12-01 出版日期:1996-12-24 发布日期:1996-12-24
  • 通讯作者: 宋瑞方,男,60岁.教授.
  • 作者简介:宋瑞方,男,60岁.教授.
  • 基金资助:

    国家自然科学基金

A Proposed Method of Calculating Binding Population of Acetate Group on M-CyDTA Complexes by 1H NMR Relative Chemical Shift

SONG Rui-Fang, LI Fei, LIU Guang-Min, MAO You-Gang   

  1. Institute of Theoretical Chemistry, Key Laboratory for Molecular Spectra and Structure, Jilin University, Changchun, 130023
  • Received:1995-12-01 Online:1996-12-24 Published:1996-12-24

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关键词: MCyDTA, 乙羧基键合分布几率, 标准自由能

Abstract: The relative chemical shifts of the binding state and rotation state of acetate groups were individually determined.The method for calculating the binding population of acetate group was proposed.The standard free energy △G0 of the binding-dissociating process was estimated.

Key words: M-CyDTA, Binding probability of acetate group, Standard free energy

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