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The Bis(pentafluoroethyl)phosphinous Acid (C2F5)2POH
Authors:Berthold Hoge Priv‐Doz Dr  Julia Bader Dipl‐Chem  Helmut Beckers Priv‐Doz Dr  Yong Seol Kim Dr  Reint Eujen Prof Dr  Helge Willner Prof Dr  Nikolai Ignatiev Dr
Institution:1. Institut für Anorganische Chemie, Universit?t zu K?ln, Greinstrasse 6, 50939 K?ln (Germany), Fax: (+49)?221‐470‐5196;2. Fachbereich C, Anorganische Chemie, Bergische Universit?t Wuppertal, Gau?strasse 20, 42097 Wuppertal (Germany);3. PLS R&D LSS, Merck KgaA, Frankfurter Strasse 250, 64293 Darmstadt (Germany)
Abstract:Phosphinous acid or phosphane oxide? Both tautomers of (C2F5)2POH (see picture) are found in the neat liquid, whereas only phosphinous acid is present in the gas phase or in solution. The synthesis starting from (C2F5)3PF2, the thermodynamics of the tautomerization, and the detection and thermodynamics of the cis‐/trans‐P? OH rotamers of the acid are described.
image

Keywords:density functional calculations  fluorine  phosphinous acids  phosphorus  tautomerization
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