@article{18eb6eeb210f47e8a9ca7ef4d15ab862,
title = "Frustrated Lewis pair-catalyzed hydrogenation of unactivated alkenes with sterically hindered 9-phosphatriptycenes",
abstract = "The frustrated Lewis pair-catalyzed hydrogenation of unactivated alkenes with H2 is reported. The weak Lewis basicity and high steric hindrance of ortho-substituted 9-phosphatriptycene derivatives is taken as an advantage to catalyze this reaction in combination with tris(pentafluorophenyl)borane. A scope of unsaturated substrates is described. The thermodynamics and kinetics of hydrogenation investigated by density functional theory show that the protonation of the olefin by the strongly acidic phosphonium cation is the critical step of the reaction.",
keywords = "9-phosphatriptycenes, density functional theory, frustrated Lewis pairs, hydrogenation, unactivated alkenes",
author = "Damien Mahaut and Beno{\^i}t Champagne and Guillaume Berionni",
note = "Funding Information: We acknowledge the University of Namur and the Fonds de la Recherche Scientifique‐FNRS (F.R.S.‐FNRS) (FRIA PhD grant 1.E.086.20 for DM and PDR project T.0012.21 for GB) for financial support. The calculations were performed on the computers of the Consortium des {\'E}quipements de Calcul Intensif and particularly those of the High‐Performance Computing Platform, which are supported by the FNRS‐FRFC, the Walloon Region, and the University of Namur (Conventions No. GEQ U.G006.15, U.G018.19, 1610468, and RW/GEQ2016). The PC2 platform is acknowledged for technical support in the recording of NMR spectra. Finally, we thank Dr. Aur{\'e}lien Chardon for helpful discussions and guidance, and Dr. Lei Hu for practical help during the hydrogenation reactions and for helpful discussions on the reactivity of phosphatriptycenes. Funding Information: We acknowledge the University of Namur and the Fonds de la Recherche Scientifique-FNRS (F.R.S.-FNRS) (FRIA PhD grant 1.E.086.20 for DM and PDR project T.0012.21 for GB) for financial support. The calculations were performed on the computers of the Consortium des {\'E}quipements de Calcul Intensif and particularly those of the High-Performance Computing Platform, which are supported by the FNRS-FRFC, the Walloon Region, and the University of Namur (Conventions No. GEQ U.G006.15, U.G018.19, 1610468, and RW/GEQ2016). The PC2 platform is acknowledged for technical support in the recording of NMR spectra. Finally, we thank Dr. Aur{\'e}lien Chardon for helpful discussions and guidance, and Dr. Lei Hu for practical help during the hydrogenation reactions and for helpful discussions on the reactivity of phosphatriptycenes. Publisher Copyright: {\textcopyright} 2022 Wiley-VCH GmbH.",
year = "2022",
month = jul,
day = "7",
doi = "10.1002/cctc.202200294",
language = "English",
volume = "14",
journal = "ChemCatChem",
issn = "1867-3880",
publisher = "Wiley - VCH Verlag GmbH & CO. KGaA",
number = "13",
}