30 research outputs found
Synthesis of sterically hindered phosphatriptycenes and computational investigation of their properties in the context of frustrated lewis pair chemistry
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Methylene Bridging Effect on the Structures, Lewis Acidities and Optical Properties of Semi‐Planar Triarylboranes
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Controlled Generation of 9-Boratriptycene by Lewis Adduct Dissociation:Accessing a Non-Planar Triarylborane
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Phosphatriptycenes:from quantum chemical investigations to applications in main group and frustrated Lewis pair chemistry
No full textFrustrated Lewis pair-catalyzed hydrogenation of unactivated alkenes with sterically hindered 9-phosphatriptycenes
No full text9-Phosphatriptycene Derivatives:From Their Weak Basicity to Their Application in Frustrated Lewis Pair Chemistry
No full textThe accurate prediction of the basicity of tertiary phosphines in acetonitrile and water is reported by the linear correlation between computed ΔpKa's obtained by density functional theory (DFT) and experimental values extracted from the literature. This method is applied to the prediction of pKa values of 9-phosphatriptycene derivatives and showed that they are weaker Brønsted bases than their triphenylphosphine analogues. This lower reactivity is attributed to their high pyramidalization that increases their lone pair 3s character, stabilizing its energy level. Their potential application in frustrated Lewis pair chemistry is then considered by investigating the hydrogenation of 1,1-diphenylethylene by the tris(pentafluorophenyl)borane/1-chloro-9-phosphatriptycene frustrated Lewis pair. </p
