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。
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.
作者
杨天怡
曾庆
王淦
苗译丹
YANG Tianyi;ZENG Qing;WANG Gan;MIAO Yidan(College of Life Sciences, Peking University, Beijing 100871, P. R. China;College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P. R. China;College of Yuanpei, Peking University, Beijing 100871, P. R. China)
出处
《大学化学》
CAS
2019年第3期68-76,共9页
University Chemistry
关键词
卤素含氧酸根
歧化
无机反应
机理
Halogen oxoanion
Disproportionation
Inorganic reaction
Mechanism
