Organophosphorus Azoles Incorporating a Tetra-, Penta-, and Hexacoordinated Phosphorus Atom: NMR Spectroscopy and Quantum Chemistry.
Lyudmila I LarinaPublished in: Molecules (Basel, Switzerland) (2023)
The review presents extensive data (from the author's work and the literature) on the stereochemical structure of functionalized organophosphorus azoles (pyrroles, pyrazoles, imidazoles and benzazoles) and related compounds, using multinuclear 1 H, 13 C, 31 P NMR spectroscopy and quantum chemistry. 31 P NMR spectroscopy, combined with high-level quantum-chemical calculations, is the most convenient and reliable approach to studying tetra-, penta-, and hexacoordinated phosphorus atoms of phosphorylated N -vinylazoles and evaluating their Z/E isomerization.
Keyphrases
- molecular dynamics
- density functional theory
- monte carlo
- systematic review
- energy transfer
- sewage sludge
- drug discovery
- quantum dots
- electronic health record
- big data
- high resolution
- machine learning
- molecular dynamics simulations
- mass spectrometry
- deep learning
- artificial intelligence
- simultaneous determination
- tandem mass spectrometry