In the parent H 2PNH 2, the pyramidal nitrogen configuration results from nitrogen lone pair electron donation into the σ* P — H orbital. The electron delocalization descriptions provided by both electron localization function (ELF) and block localized wavefunction analysis support the proposed relationships between conformation and negative hyperconjugative interactions. In this work, the effects governing nitrogen configuration in several substituted aminophosphines, A 2PNB 2 (A or B = H, F, Cl, Br, Me, OMe, BINOP), are examined using modern computational analytic tools. The trigonal planar geometry of the nitrogen atom in commonly used phosphoramidite ligands is not in line with the traditional valence shell electron pair repulsion (VSEPR) model.
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