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RESEARCH PRODUCT

Theoretical Design of Organic Metals Based on the Phthalocyanine Macrocycle

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Phthalocyanine molecular crystals and cofacially linked polymers are well documented as low-dimensional materials that may attain high electrical conductivities. Air-stable conductivities on the order of 1 to 1000 S/cm after partial oxidation by iodine have been reported.1–3 These conductivity studies indicate that the electrical conductivity has very little dependence on the identity of the atom complexed in the cavity, but is strongly dependent on the orientation and spacing of the phthalocyanine rings. A columnar stacking with minimum spacing leads to a maximum interaction between π-molecular orbitals on adjacent rings and promotes the highest conductivity. More effective π-interactions and, therefore, better conductivity properties could then be expected when the conjugated system of the phthalocyanine molecule is extended. Several synthetic efforts have been recently dedicated to crystals and polymers derived from large tetraaza-macrocycles.4,5