Abstract
A novel mononuclear zinc complex [ZnL(Phen)(H2O)]·H2O containing the mixed ligands of Phen (Phen = 1,10-phenanthroline) and 3-hydroxy-2-methylquinoline-4-carboxylic acid (HL) was prepared by hydrothermal synthesis and its crystal structure was characterized by X-ray single-crystal diffraction method. The title complex crystallizes in the orthorhombic systems and forms monomeric units. The molecules in the title complex are connected through the interactions of hydrogen-bonding and ????? interactions to give a three-dimensional (3D) supramolecular structure. The fluorescence result discovers a wide emission band in the violet blue region. Time-dependent density functional theory (TDDFT) calculations reveal that this emission can be attributed to ligand-to-ligand charge transfer (LLCT). Solid-state diffuse reflectance shows there is a wide optical band gap.
Highlights
In recent years, metal complexes have attracted increased attention due to their numerous properties, as well as their potential application in the fields of catalysis, medicine, photoluminescence, semiconductor materials, and so on.[1,2,3,4] So far, researchers have been engaged in a large number of studies on the properties of lanthanide and transition metal complexes.[5,6,7] In these characteristics, photoluminescence is attractive to us
We report the hydrothermal synthesis, X-ray crystal structure, photoluminescent and UV-visible diffuse reflectance spectroscopic properties, as well as time-dependent density functional theory (TDDFT) calculations for the novel zinc(II) complex, [ZnL(Phen)(H2O)] · H2O, (Phen = 1,10-phenanthroline, HL = 3-hydroxy-2-methylquinoline-4-carboxylic acid), with a mononuclear structure
By the infrared spectrum of the title complex, the strong broad band at 3424 cm–1 indicates the presence of water, the absorption at 1624 cm–1 was assigned to the contribution of C=N, the absorptions at 1580 cm–1 and 1351 cm–1 are regarded as the presence of monodentated carboxylate in the title complex
Summary
Metal complexes have attracted increased attention due to their numerous properties, as well as their potential application in the fields of catalysis, medicine, photoluminescence, semiconductor materials, and so on.[1,2,3,4] So far, researchers have been engaged in a large number of studies on the properties of lanthanide and transition metal complexes.[5,6,7] In these characteristics, photoluminescence is attractive to us. Since the composition of organic ligands can determine the crystal structure and function of metal complexes. Many organic ligands, such as aromatic sulfonic acid, aromatic carboxylic acid and N-heterocyclic derivatives,[21,22] are used in the preparation of metal complexes. As a wellknown rigid and rod-like molecule, 1,10-phenanthroline (Phen) is an interesting secondary building unit (SBU) for the construction of a supramolecular or an extended structural motif, because Phen possesses a delocalized π-electron system, which allows it to be a useful candidate in preparing new fluorescence compounds with potential applications. We report the hydrothermal synthesis, X-ray crystal structure, photoluminescent and UV-visible diffuse reflectance spectroscopic properties, as well as time-dependent density functional theory (TDDFT) calculations for the novel zinc(II) complex, [ZnL(Phen)(H2O)] · H2O, (Phen = 1,10-phenanthroline, HL = 3-hydroxy-2-methylquinoline-4-carboxylic acid), with a mononuclear structure
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