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A manganese complex with mixed ligands, [Mn(2,2′-biim)2(4,4′-bipy)] n[Mn(2,2′-biim)3]2 n6 n(ClO4)•8 nH2O (2,2′-biim = 2,2′-biimidazole; 4,4′-bipy = 4,4′-bipyridine), has been obtained by a hydrothermal procedure and its structure determined by single-crystal X-ray crystallography. A two-dimensional (2-D) supramolecular layer is established through hydrogen-bonding interactions. Solid-state photoluminescence measurement reveals that this complex shows a blue light emission. Solid-state diffuse reflectance determination uncovers the presence of a narrow optical band gap of 2.18 eV in this complex.

A novel cadmium complex with mixed ligands {[Cd(2,2'-biim)(4,4'-bipy)(H 2 O)(ClO 4 )] (ClO 4 )} n ( 1 ) (2,2'-biim = 2,2'-biimidazole; 4,4'-bipy = 4,4'-bipyridine) has been synthesized through hydrothermal reaction and its crystal structure was determined by single-crystal X-ray diffraction technique. Single-crystal X-ray diffraction analyses revealed that complex 1 crystallizes in the space group Pna 2 1 of the orthorhombic system and exhibits a one-dimensional zigzag chain structure consisting of [Cd(2,2'-biim)(4,4'-bipy)(H 2 O)(ClO 4 )] n n + cationic chains and isolated ClO 4 – anions. Powder photoluminescent characterization reveals that complex 1 has an emission in the green region of the spectrum. Time-dependent density functional theory (TDDFT) calculation showed that the nature of the photoluminescence of complex 1 is originated from the ligand-to-ligand charge transfer (LLCT; from the HOMO of the perchlorate anions to the LUMO of the 4,4'-bipy ligand). A wide optical band gap of 3.25 eV was found by the solid-state UV/vis diffuse reflectance spectrum.