大学化学 >> 2019, Vol. 34 >> Issue (3): 68-76.doi: 10.3866/PKU.DXHX201807013

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箭推法视角下对卤素含氧酸根歧化反应的思考

杨天怡1,*(),曾庆2,王淦2,苗译丹3   

  1. 1 北京大学生命科学学院, 北京 100871
    2 北京大学化学与分子工程学院, 北京 100871
    3 北京大学元培学院, 北京 100871
  • 收稿日期:2018-07-05 录用日期:2018-08-31 发布日期:2019-03-09
  • 通讯作者: 杨天怡 E-mail:yty@pku.edu.cn

Application of Arrow-Pushing in the Disproportionation of Halogen Oxoanions

Tianyi YANG1,*(),Qing ZENG2,Gan WANG2,Yidan MIAO3   

  1. 1 College of Life Sciences, Peking University, Beijing 100871, P. R. China
    2 College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P. R. China
    3 College of Yuanpei, Peking University, Beijing 100871, P. R. China
  • Received:2018-07-05 Accepted:2018-08-31 Published:2019-03-09
  • Contact: Tianyi YANG E-mail:yty@pku.edu.cn

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摘要：

通过对次氯酸根、溴酸根等卤素含氧酸根在一定条件下歧化反应机理的讨论，以及实验事实辅以密度泛函理论（DFT）、Multiwfn计算，探讨了各种机理的合理性，初步验证了利用有机反应机理阐述无机反应过程的合理性，并探寻如何通过类比有机反应机理系统总结无机反应的规律。

关键词: 卤素含氧酸根, 歧化, 无机反应, 机理

Abstract:

The article uses the disproportionation of chlorate and hypobromite as examples to analyze the application of arrow-pushing in the disproportionation of halogen oxoanions. Based on the experimental results, we have discussed the rationality of each possible mechanism we proposed based on electronic structure methods. All these efforts are put to demonstrate the way to introduce basic organic-style arrow-pushing into inorganic field.

Key words: Halogen oxoanion, Disproportionation, Inorganic reaction, Mechanism