Browsing by Subject "Activation of Dihydrogen"

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    Internal Coulombic Assistance in Intermolecular Frustrated Lewis Pair Activation of Dihydrogen
    (Royal Society of Chemistry, 2024-02) Rey Planells, Alicia; Espinosa Ferao, Arturo Francisco; Streubel, Rainer; Frontera, Antonio; Química Orgánica
    1,3-Zwitterions consisting of a phosphonium cation linked to a silicate centre through a one-atom bridge, X3P–E–SiY4 (3), are computationally studied. Their phosphonium acidic group together with a Lewis base constitute a frustrated Lewis pair (FLP) in the activation of H2, with the silicate side-arm providing Coulombic stabilization to the positive charge at the Lewis base.