Water, water, everywhere. Synthesis and structures of perfluoroalkyl rhodium and iridium(III) compounds containing water ligands

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The aqua complexes [M(η5-C5Me5)(PMe3)(R F)(H2O)]+[X]-, {M = Rh, Ir; RF = CF(CF3)2; X = BF4; M = Ir; RF = CF2CF3, CF2CF2CF3; X = CF3SO3; M = Rh; RF = CF2CF2CF3; X = CF3SO3} have been prepared and their molecular structures determined by single crystal X-ray diffraction studies. In addition, the aqua complexes [M(η5-C5Me5)(PR3)(R F)(H2O)]+[X]-·0.5H 2O {M = Ir; R = CH3; RF = CF(CF3)2; X = B(ArF)4; M = Ir; R = C6H5; RF = CF2CF2CF3; X = BF4} containing both inner and outer sphere water molecules have been prepared and crystallographically characterized. The complexes exhibit hydrogen bonding networks in the solid state involving the aqua ligand and the BF4- or CF3SO3- anions, and in one case, to the BF4- anion and an outer sphere water molecule. In the presence of a non-coordinating anion, such as B(ArF)4, hydrogen bonding to an outer sphere water molecule is still observed. A number of close contacts between the coordinated water molecule and α- and/or β-fluorines of the fluoroalkyl ligands are observed and discussed.

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Journal of the Chemical Society, Dalton Transactions

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