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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… Click to show full abstract
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.
Keywords:
two coordinate;
design activate;
tetrafluoromethane;
coordinate borinium;
rational design
Journal Title: Inorganic chemistry
Year Published: 2023
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Journal Title: Inorganic chemistry
Year Published: 2023
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!