On the Origin of the Non-Planarity in Biarylsilyloxonium Ions.
Anthony J FernandesFrédéric RobertYannick LandaisSandra KünzlerThomas MüllerPublished in: Chemistry (Weinheim an der Bergstrasse, Germany) (2021)
The structure determination of a series of biphenylsilyloxonium cations through NMR and XRD studies, supported by DFT calculations was carried out, allowing to get insights into the origin of the oxygen pyramidalization in biphenyl and binaphthylsilyl oxoniums. Low barrier of inversion in the oxygenyl series points toward a key role of the biaryl axis in the inversion of configuration at the oxygen center.
Keyphrases
- density functional theory
- contrast enhanced
- magnetic resonance
- molecular dynamics
- high resolution
- molecular dynamics simulations
- quantum dots
- molecular docking
- magnetic resonance imaging
- solid phase extraction
- case control
- computed tomography
- solid state
- mass spectrometry
- crystal structure
- simultaneous determination