Publication:
Internal Coulombic Assistance in Intermolecular Frustrated Lewis Pair Activation of Dihydrogen

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Date
2024-02
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Authors
Rey Planells, Alicia ; Espinosa Ferao, Arturo Francisco ; Streubel, Rainer ; Frontera, Antonio
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Publisher
Royal Society of Chemistry
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Química Orgánica
DOI
https://doi.org/10.1039/d4nj00523f
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info:eu-repo/semantics/article
Description
©The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2024. This document is the Published 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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Activation of Dihydrogen , Coulombic Assistance , DFT calculations , Frustrated Lewis Pair
Citation
New Journal of Chemistry, 2024, 48, 4675–4679
URI
http://hdl.handle.net/10201/141928
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