Molecular Biomimetics, Department of Chemistry - Ångström Laboratory, Uppsala University, Box 523, 75120, Uppsala, Sweden.
Sci Rep. 2021 Nov 29;11(1):23058. doi: 10.1038/s41598-021-02355-3.
We report the electrochemical oxidation of ferricyanide, [Fe(CN)] and characterised the oxidation product by in-situ FTIR and XAS spectroelectrochemistry methods. Oxidation of [Fe(CN)] is proposed to proceed via a tentative Fe(IV) intermediate that undergoes reduction elimination to give cis-[Fe(CN)(CHCN)] as stable product in acetonitrile. Speciation of the oxidation product by DFT calculations is underpinned by good agreement to experimental data.
我们报告了铁氰化物[Fe(CN)]的电化学氧化,并通过原位傅里叶变换红外光谱(FTIR)和 X 射线吸收光谱(XAS)光谱电化学方法对氧化产物进行了表征。[Fe(CN)]的氧化被认为是通过一个暂定的 Fe(IV)中间体进行的,该中间体经历还原消除,在乙腈中生成稳定产物顺式-[Fe(CN)(CHCN)]。通过密度泛函理论(DFT)计算对氧化产物的形态进行了研究,实验数据与计算结果吻合较好。