| Abstract
| - The reaction of the [FHF]- anion with metal alkyls is proposed as general route for the preparation of organometallic and inorganic fluorides, applied here for aluminum compounds. The comparison of [R2AlF2]- and [AlF4]- species within HSAB concepts, using ab initio calculations, showed a mutual influence of hard and soft ligands in the organometallic fluorides. The hybridization concept was used in a new model correlating bond angles with energy of the central atom in the molecule.
- A general synthetic strategy starting from metal alkyls is reported based on the hydrogen difluoride anion as asuitable reagent for obtaining organometallic fluorides. The newly prepared compounds are [Me4N][(i-Bu)2AlF2](1), [Ph4P][(i-Bu)2AlF2] (2), and [Ph4P][AlF4] (3), containing the tetrahedral anions [(i-Bu)2AlF2]- and [AlF4]-.The actual structures are prototypes that allowed a comparison of inorganic and organometallic fluorides in theframe of the hard and soft acid and base principle, by means of ab initio calculations. A new theoretical modelis designed to put in equation form the qualitative statements of the Bent rule. The model allows the rationalizationof the tendencies of bond angle variation in [R2MX2] systems containing a main group metal (M), in terms ofhybridization of the central atom and the reciprocal influence of hard and soft ligands.
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