化学
三嗪
共价键
亚胺
氟
光催化
芘
光合作用
光化学
密度泛函理论
有机化学
组合化学
纳米技术
催化作用
材料科学
计算化学
生物化学
作者
Ziping Li,Jiaao Wang,Si Ma,Zhenwei Zhang,Yongfeng Zhi,Fuchun Zhang,Hong Xia,Graeme Henkelman,Xiaoming Liu
标识
DOI:10.1016/j.apcatb.2022.121335
摘要
Photoactive two-dimensional covalent organic frameworks (2D-COFs) have recently emerged as a promising platform for efficient solar to chemical energy conversion. The photosynthesis of α-trifluoromethylated ketones, which is an important access to various fluorine-containing compounds, is rarely reported in heterogeneous photocatalytic systems. Herein, we report two 2D-COFs constructed from the electron-deficient triazine and electron-rich benzotrithiophene units with imine and amide linkages for the photosynthesis of α-trifluoromethylated ketones. The novel triazine-based COFs showed good activity, broad substrate flexibility and recyclability under visible-light irradiation, which is much superior to the classical pyrene-based COFs. Density functional theory calculations revealed that the triazine-based COFs have intrinsically lower carrier recombination tendency and can produce more intermediates •CF3, resulting in higher catalytic efficiency. This research will contribute to the rational design of photoactive COFs and facilitate the development of fluorine chemistry.
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