PF5 and PCl5 interacting with water – comparative study at the molecular level

Dawid Faron,Piotr Skurski,Iwona Anusiewicz

Polyhedron（2019）

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摘要

The comparative study of the isomeric structures formed by the interaction of PF5 and PCl5 with up to four water molecules were theoretically examined. It is predicted that PF5 tends to form hydrates with water clusters whereas PCl5 undergoes subsequent ligand exchange (with H2O) to form H3PO4.

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关键词

Phosphorus pentafluoride,Phosphorus pentachloride,Hydronium cations,Solvation,Superacids

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