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Perfluorination of one η5‐C5H5 ring in the MC10H10 system (M = Ni, Pd, Pt) to give an MC10H5F5 system greatly destabilizes structures containing a perfluorinated pentahapto η5‐C5F5 ring. As a result, the metallapentafluorobenzene structures (η5‐C5H5)(MC5F5) are the lowest‐energy structures for all three metals, with energy differences of 1.4, 6.2, and 16.2 kcal/mol for nickel, palladium, and platinum,...
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