The synthesis, structural characterization and theoretical investigation of a novel alkoxo-bridged dinuclear copper(II) compound has been described. The title compound has the formula C22H28Cl2Cu2N8O11. It consists of dinuclear units with bridging methoxo groups. The ligands 2-amino-pyridine and 2-amino-6-hydroxyl-pyridine are linked to each copper via the pyridine N atoms respectively, providing a square planar CuN2O2 unit. The ClO4- anions in the title compound are semi-coordinated to copper ion at the distance of 0.265 83(4) nm (Cu-O(ClO4-). The Cu-Cu distances within the dinuclear units are 0.299 79(9) nm with Cu-O-Cu angles of 102.27(9)°. The structures are stabilized by intramolecular H-bonds between the amino hydrogen atoms and oxygen atoms. Based on crystal data, quantum chemistry calculation on DFT/B3LPY level was used to reveal the electronic structure of the title compound. CCDC: 270807.
A one dimensional coordination polymer, [(C7H18N)(Ag2I3)]n((C7H18N)+=Methyltriethylammonium) has been successfully synthesized and characterized by X-ray single-crystal diffraction method. Structure analysis shows that the compound consists of organic cations(Methyltriethylammonium) and inorganic anion chains (Ag2I3)n-. The inorganic moiety consists of AgI4 tetrahedron, which shares the same edges with adjacent AgI4 tetrahedrons to form one-dimensional infinite double chains along a-axis. There exists weak interaction among Ag…Ag atoms in the crystal. Anion chains are surrounded by Methyltriethylammonium cations. Anion chains and cations are in combination with each other by static attracting forces in the crystal to form so-called organic-inorganic hybrid structure. According to the crystal structure data, quantum chemistry calculation with DFT on B3LYP level was used to reveal the electronic structure of title compound. CCDC: 254288.
