Predicting dinitrogen activation by borenium and borinium cations

Abstract

Activation of thermodynamically stable and kinetically inert dinitrogen (N2) has been a great challenge due to a significantly strong triple bond. Recently, the experimental study on the N2 activation by...

Rational Design to Activate Tetrafluoromethane by Two-Coordinate Borinium

“…This process is driven by the restoration of the aromaticity of 6-P . Such an aromaticity-driven strategy has been widely applied to the activation of various small molecules, such as dinitrogen (N 2 ), − molecular hydrogen (H 2 ), carbon dioxide (CO 2 ), and carbon disulfide (CS 2 ), among others. A recent example of those is the activation of N 2 by borinium and bornium cations, which was reported by Zhu’s team .…”

“…Such an aromaticity-driven strategy has been widely applied to the activation of various small molecules, such as dinitrogen (N 2 ), − molecular hydrogen (H 2 ), carbon dioxide (CO 2 ), and carbon disulfide (CS 2 ), among others. A recent example of those is the activation of N 2 by borinium and bornium cations, which was reported by Zhu’s team . They claim that aromaticity plays a crucial role in stabilizing the product and driving the activation of N 2 .…”

“…A recent example of those is the activation of N 2 by borinium and bornium cations, which was reported by Zhu's team. 51 They claim that aromaticity plays a crucial role in stabilizing the product and driving the activation of N 2 . Note that aromaticity acting as a driving force to promote C−F activation was also achieved by the same group.…”

Predicting Small Molecule Activation including Catalytic Hydrogenation of Dinitrogen Promoted by a Dual Lewis Acid

“…Our group theoretically designed a series of FLPs that can be used for N 2 activation, such as NHC‐methyleneborane, [34] NHC‐borole, [35] and NHC‐borane, [36] in a thermodynamically and kinetically favorable manner. In addition, N 2 activation by five‐electron boron radicals, [37] carbene‐stabilized borylenes, [38] carborane‐based FLPs, [39] borenium, and borinium cations [40] have also been reported theoretically.…”

Screening Carbon‐Boron Frustrated Lewis Pairs for Small‐Molecule Activation including N2, O2, CO, CO2, CS2, H2O and CH4: A Computational Study

“…[26] In 2020, Xi's group summarized the synthesis of N-containing organic compounds via NÀ C bond formation [27] and the nitrogen fixation by carbene species. [28] Recently, boron radicals, [29][30] borinium cations, [31] Ca 2 N 3 [32] and a dual Lewis acid [33] have also been reported to activate N 2 experimentally or theoretically.…”