Synthesis of Saturated and Unsaturated Curtis-Type Ni Derivatives as 2,6-Dihydroxyanthraquinonates. Crystal and Molecular Structure. Thin Film Measurements of Conductivity and ab Initio Calculations of Electronic States

Synthesis of two charge-transfer donor-acceptor systems, based on Curtis-type complexes, one saturated and the other unsaturated, as salts of anthraflavic acid (2,6-dihydroxyanthraquinone) and their chemical, crystal, and molecular characterization are reported as well as their conductivity in thin-film form when deposited by vacuum thermal evaporation. The absorption edge for the films was determined from the optical transmission spectra in the visible by applying the Tauc model. Ab initio calculations were carried out, and with the obtained electronic structure, local densities of states were computed.