Publication: Internal Coulombic assistance in intermolecular frustrated Lewis pair activation of dihydrogen
Authors
Rey Planells, Alicia ; Espinosa Ferao, Arturo ; Streubel, Rainer ; Frontera, Antonio
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Publisher
Royal Society of Chemistry
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Description
© 2024 The Royal Society of Chemistry and the Centre National de la Recherche Scientifique. This manuscript version is made available under the CC-BY-NC 4.0 license http://creativecommons.org/licenses/by-nc/4.0/
This document is the Published Manuscript version of a Published Work that appeared in final form in New Journal of Chemistry. To access the final edited and published work see https://doi.org/10.1039/D4NJ00523F
Abstract
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.
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