An Experimental Charge Density Study of Two Isomers of Hexasilabenzene


  • We kindly acknowledge funding from the DFG Priority Programme 1178 (“Experimental Electron Density as a Key to Understand Chemical Interactions”) and the CMC.


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The aromaticity of the ring and cage isomer of a hexasilabenzene derivative was investigated by experimentally determined charge-density distribution. Topological analysis and valence-shell charge concentrations reflect the degree of delocalization in the various bonds. A transannular Si0–SiI bond was found in the ring conformer, while an interstitial Si0–Si0 bond along the hub in the silapropellane moiety of the cage conformer was not detected.