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In chemistry, a pseudorotation is a set of intramolecular movements of attached groups (i.e., ligands) on a highly symmetric molecule, leading to a molecule indistinguishable from the initial one. Download as PDF. Set alert. About this page. Variable-temperature NMR studies have been employed to determine the thermodynamic activation parameters for the Berry pseudorotation of 69 and 70 <1995TL2261, 1996JA12866, 1999PS561, 2006EJO2739>, and of diastereomers of 73 <1997TL4107>. 10.1002/cphc.200500297.abs. For the first time, theoretical evidence that confirms the importance of the Berry pseudorotation process in the interpretation of the 19 F NMR spectrum of phosphorus pentafluoride (PF 5) is presented.Ab initio molecular dynamics simulations have been performed to generate a large number of configurations used for NMR parameter computations at the density functional Request PDF | Anharmonic frequencies and Berry pseudorotation motion in PF5 | We study the dynamics of PF5, using a density functional potential energy surface. The full surface has 20 D3h minima Cite as: IUPAC.Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford