Rational Design to Activate Tetrafluoromethane by Two-Coordinate Borinium

Abstract

The activation of tetrafluoromethane (CF 4 ) 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 CF 4 using density functional theory (DFT) calculations. Our calculations predict that this approach is both thermodynamically and kinetically favorable.

Potential of Molecular Catalysts with Electron-Rich Transition Metal Centers for Addressing Long-Standing Chemistry Enigmas

“…PFCs are highly unreactive, making their recycling difficult. Different approaches have been probed for the activation and hydrolysis of the C–F bonds. − Presently, we present some preliminary results for the reaction of CH 3 Pd – with CF 4 to demonstrate that electron rich metals can efficiently activate C–F bonds. CH 3 Pd – was chosen as a simple representative of the molecular complex of Figure and CF 4 to represent the PFC molecules.…”

Hydrogen‐Bonded Organic Frameworks as an Appealing Platform for Luminescent Sensing

“…Recently, Yan et al utilized a solvent-vapor method to develop a novel blueemitting HOF (HOF-215) based on melamine (MA) and tricarboxylic amine (TCA), and created a ratio fluorescence probe Eu(bpy)@HOF-215 by modification HOF with lanthanide luminescent complexes. [62] This material exhibited visual responses from purple to blue for NIC and COT, with LOD of 0.039 and 0.429 μm in water, and 0.045 μm for COT in urine, 0.591 μm for NIC in saliva. Based on the photoresponsive changes of HOF-215, the authors further prepared four luminescent inks, constructing a dynamic and recyclable multilevel information encryption platform.…”

“…[63] Yan et al have presented the major cases in this regard, [54,58] particularly highlighting melamine as a typical linker for the construction of functional sensing HOFs by assembly with other organic small molecules with hydrogen-bond acceptors. [45,56,62,65] Beyond designing luminescent centers in monomers, altering hydrogen bonding arms can result in a variety of HOF structures. Rigid HOF structures can be engineered using large 𝜋-conjugated molecules combined with strong hydrogen bond moieties, which leverage functional sites within their channels to selectively recognize and respond to external guest species.…”

“…These characteristics make them ideal candidates for enhancing the sensing performance through doping them into the HOF structures. Currently, elements such as Eu, [45,48,56,58,[62][63]75] and Tb [35,65] have been employed in the modification of HOF sensors, which have been used for detecting a variety of chemical compounds, as well as for temperature and gas. In this realm, the complexation of transition metal ions such as Zn 2+ has been demonstrated to augment the antenna effect of lanthanide HOFs and promote quenching sensing of Cu 2+ in HOFs.…”