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Inorg Chem. 2007 Apr 2;46(7):2700-3. Epub 2007 Feb 28.

On the existence of molecular palladium(VI) compounds: palladium hexafluoride.

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  • 1Departament de Química Inorgànica and Centre de Recerca en Química Teorica, Universitat de Barcelona, Diagonal 647, 08028 Barcelona, Spain.


A theoretical study of the accessibility of hexacoordinate palladium(VI) compounds is presented. Species such as [Pd(SiR3)6], [PdCl6], and [Pd(OH)6] are predicted to be unstable toward reductive elimination of the ligands. In contrast, the presence of a stable palladium(VI) center is expected in [PdF6], a low-spin nearly octahedral molecule with a weak Jahn-Teller distortion and highly covalent Pd-F bonds. A vibrational analysis confirms such a geometry as an energy minimum, and a special distribution of its spin density makes PdF6 a highly interesting synthetic target.

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