Unraveling Reactivity Pathways: Dihydrogen Activation and Hydrogenation of Multiple Bonds by Pyramidalized Boron‐Based Frustrated Lewis Pairs
Himangshu Mondal,
Pratim Kumar Chattaraj
Abstract:The activation of H2 by pyramidalized boron‐based frustrated Lewis Pairs (FLPs) (B/E‐FLP systems where “E” refers to N, P, As, Sb, and Bi) have been explored using density functional theory (DFT) based computational study. The activation pathway for the entire process is accurately characterized through the utilization of the activation strain model (ASM) of reactivity, shedding light on the underlying physical factors governing the process. The study also explores the hydrogenation process of multiple bonds w… Show more
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