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Activation of SO 2 by N/Si + and N/B Frustrated Lewis Pairs: Experimental and Theoretical Comparison with CO 2 Activation
Author(s) -
Adenot Aurélien,
von Wolff Niklas,
Lefèvre Guillaume,
Berthet JeanClaude,
Thuéry Pierre,
Cantat Thibault
Publication year - 2019
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201901088
Subject(s) - adduct , moiety , chemistry , lewis acids and bases , frustrated lewis pair , guanidine , crystallography , x ray crystallography , diffraction , computational chemistry , stereochemistry , organic chemistry , catalysis , physics , optics
The guanidine 1,5,7‐triazabicyclo[4.4.0]dec‐5‐ene (TBD) and the substituted derivatives [TBD–SiR 2 ] + and TBD–BR 2 reacted with SO 2 to give different FLP–SO 2 adducts. Molecular structures, elucidated by X‐ray diffraction, showed some structural similarities with the analogous CO 2 adducts. Thermodynamic stabilities were both experimentally evidenced and computed through DFT calculations. The underlying parameters governing the relative stabilities of the different SO 2 and CO 2 adducts were discussed from a theoretical standpoint, with a focus on the influence of the Lewis acidic moiety.