氧族元素间共价单键参与的无机反应机理

Inorganic Reaction Mechanism of Chalcogen-Chalcogen Bond

结合一些热力学数据和动力学过程,运用亲电和亲核的概念,初步阐释了一些O―O键、S―S键参与的氧化还原反应的机理,并利用Gaussian09程序的计算对一些已有的机理和猜想进行了验证,以此说明无机反应机理的一些规律。

This paper explains some inorganic reaction mechanisms of oxidation-reduction reactions involving chalcogen-chalcogen single bond, according to thermodynamic and kinetic data. DFT method is used to verify proposed mechanisms and conjectures by Gaussian09 program. All these efforts are put to demonstrate some general patterns in inorganic reaction mechanisms.