期刊
INORGANIC CHEMISTRY
卷 62, 期 8, 页码 3518-3524出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.inorgchem.2c03900
关键词
-
Inspired by successful C-F activation, we propose a rational approach based on two-coordinate borinium for activating CF4. Our DFT calculations show that this approach is both thermodynamically and kinetically favorable.
The activation of tetrafluoromethane (CF4) is quite challenging. The current methods have a high decomposition rate but are expensive, and therefore, their widespread use is limited. Here, inspired by the successful C-F activation within saturated fluorocarbons, we have designed a rational approach based on two-coordinate borinium for activating CF4 using density functional theory (DFT) calculations. Our calculations predict that this approach is both thermodynamically and kinetically favorable.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据