Potentially Conducting Organometallic Systems: The Stibaphenalenyl Series

Substituting some carbon atoms by antimony in the network of the odd alternant hydrocarbon phenalenyl (C₁₃H₉) radical can lead to a variety of new molecules. These molecules are investigated theoretically by using extended Huckel computations, which point to a high potential of the compounds to be good organometallic conductors. Two main features are characteristic of all the members of the series: (a) the molecules exhibit an inherent propensity to form infinite stacks that are driven by strong intermolecular Sb---Sb bonding, and (b) the band structure of the stacks exhibits a few bands that are all less than half-filled. Each such band, by itself, may be conceived to arise from stacking of partially oxidized (doped) donors. The stibaphenalenyl stacks meet thereby the two main requirements of the highly conducting organic “metals”.