Hydrothermal synthesis, crystal structure, and properties of a novel tetranuclear calcium complex constructed with aromatic sulfonate-carboxylate ligand

abstract A novel calcium complex, [Ca4(SIP)3(phen)8(H2O)6]·(Hphen)·(phen)·27H2O (1) (NaH2SIP = 5-sulfoisophthalic monosodium salt, phen = 1,10-phenanthroline), has been synthesized by hydrothermal reaction at 160°C. It was characterized by X-ray single-crystal diffraction, infrared spectroscopy, and elemental and thermogravimetric analysis. Complex 1 features an approximate U-shaped structure, where the tetranuclear calcium ions are bridged by tridentate and tetradentate SIP3− ligands, together with free 1H-protonated 1,10-phenanthroline balancing the charge. Each calcium ion is eight-coordinated showing distorted bicapped trigonal prism geometry. The luminescence spectrum indicates an emission maximum at 463 nm. Complex 1 shows a second harmonic generation response that is three times that of KH2PO4.

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