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Activation of SO2 by N/Si+ and N/B Frustrated Lewis Pairs: Experimental and Theoretical Comparison with CO2 Activation

Aurélien Adenot 1 Niklas von Wolff 1 Guillaume Lefèvre 1 Jean-Claude Berthet 1 Pierre Thuéry 1 Thibault Cantat 1, *
* Corresponding author
1 LCMCE - Laboratoire de Chimie Moléculaire et de Catalyse pour l'Energie (ex LCCEF)
NIMBE UMR 3685 - Nanosciences et Innovation pour les Matériaux, la Biomédecine et l'Energie (ex SIS2M)
Abstract : The guanidine 1,5,7-triazabicyclo[4.4.0]dec-5-ene (TBD) and the substituted derivatives [TBD-SiR2] + and TBD-BR2 reacted with SO2 to give different FLP-SO2 adducts. Molecular structures, elucidated by X-ray diffraction, showed some structural similarities with the analogous CO2 adducts. Thermodynamic stabilities were both experimentally evidenced and computed through DFT calculations. The underlying parameters governing the relative stabilities of the different SO2 and CO2 adducts were then discussed from a theoretical standpoint, with a focus on the influence of the Lewis acidic moiety.
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Aurélien Adenot, Niklas von Wolff, Guillaume Lefèvre, Jean-Claude Berthet, Pierre Thuéry, et al.. Activation of SO2 by N/Si+ and N/B Frustrated Lewis Pairs: Experimental and Theoretical Comparison with CO2 Activation. Chemistry - A European Journal, Wiley-VCH Verlag, 2019, 25, pp.8118-8126. ⟨10.1002/chem.201901088⟩. ⟨cea-02101707⟩

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