3d Supramolecular Chiral Crystal Structures Of Radical Anion Salts Of (-)-Ndi-Delta And Possible Magnetic Phase Diagrams

Supramolecular chiral crystals of radical anion salts of a rigid triangular chiral electron acceptor, (-)-naphthalene diimide (NDI)-Delta, were electrochemically grown in propylene carbonate (PC) solutions of electrolytes (M center dot ClO4, M = K, Rb, Cs) in the presence of cyclic multidentate ligands, such as 18-crown-6, 15-crown-5, and 2,2,2-cryptand. The crystal structures were found to be formed by three-way branched pi-pi interactions between (-)-NDI-Delta radical anions, including [Rb(or K)(18-crown-6)](+) complexes. The theoretical calculations on this structure revealed a possible magnetic phase diagram, which was governed by the ratio between two types of antiferromagnetic interactions.