Fig. 6. Molecular structure of the dication [7a]2+ in [7a]2+([Al(ORF)4]−)2·2C6F4H2 (ellipsoids set at 50% probability, average distances in Å and standard deviations of the C–O bonds in the range of 0.002 Å) colour code: carbon – grey, oxygen – red, ruthenium – turquoise with the experimental and calculated IR and Raman spectra calculated at B3LYP(D3BJ)/def2-TZVPP level and scaled by 0.968 according to M. A. Duncan et al.58 and 13C-NMR from [7a]2+([Al(ORF)4]−)2 in TFB.
