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Struktur und Eigenschaften von Methyltrifluorphosphoran CH3PF3H
Authors:Andreas Kornath  Frank Neumann  Ralf Ludwig
Abstract:Structure and Properties of Methyltrifluorophosphorane CH3PHF33 Methyldichlorophosphane reacts with three equivalents of HF under formation of Methyltrifluorophosphorane, which is characterized by mass, NMR, and vibrational spectroscopy. The ab intio calculation (HF/6‐31+G*) yields a distorted trigonal bipyramidal structure for CH3PF3H. The methyl group (r P—C = 180.2 pm), the hydrogen (r P—H = 137.1 pm) and one fluorine atom (r P—Feq = 155.8 pm) are located at equatorial positions. The P—Fax‐distance is 163.4 pm. The Lewis‐amphoteric properties are shown by reactions with CsF, [(CH3)4]NF and AsF5.
Keywords:Phosphoranes  Ab initio calculations  Vibrational spectroscopy  NMR spectroscopy
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