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Three new mercury coordination polymers, [HgCl 2 (Hmtz)] n ( 1 ), ( 2 ) and [Hg 2 (mtz) 4 ] n ( 3 ), were successfully prepared from HgCl 2 and 5-methyltetrazole (Hmtz) and characterized by elemental analysis, thermal analysis, luminescence, theoretical calculation, powder X-ray diffraction and single-crystal X-ray diffraction. The results reveal that 1 and 2 are isomers resulted from different one dimensional (1D) mercury halides chains, and they are all 3D supramolecular structures. Complex 3 possesses a 2-fold interpenetrated diamondoid network with intersecting channels. Time-dependent density functional theory (TDDFT) calculations reveal that the mechanisms of the fluorescence emission are dominantly resulted from the ligand-to-metal charge transfer (LLCT) and partial ligand-to-ligand charge transfer (LLCT) for 1 and 2 , but ligand-to-metal charge transfer (LMCT) for 3 , which is in good agreement with their different fluorescence spectra and crystal structures. Optical absorption spectra indicate that complexes 1–3 have wide optical band-gaps and can be probably used as wide optical band-gap semiconductor materials. [ABSTRACT FROM AUTHOR]

Abstract: One couple of enantiomerically pure chiral CuIIGdIII coordination polymers [Cu((S, S)-Salcy)Gd(NO3)3·CH3OH] n (1) and [Cu((R, R)-Salcy)Gd(NO3)3·CH3OH] n (2) [(S, S)-Salcy or (R, R)-Salcy=(S, S)- or (R, R)-N, N′-(1,2-cyclohexanediylethylene) bis(3-ethoxysalicylideneiminato)dianion], were synthesized and structurally characterized. The self-assembly by intermolecular semicoordination of nitrate to copper(II) formed a one-dimensional zigzag chain structure. Magnetic property studies indicated that 1 and 2 exhibited very strong ferromagnetic interaction (J =6.285 and 7.408cm−1, respectively) between copper(II) and gadolinium(III) metal centers among the related complexes, although the dihedral angles (8.1° and 8.6°, respectively) of CuO2 and GdO2 are a little large. [Copyright &y& Elsevier]

Abstract: Two Zn(II) and Cd(II) compounds with the in-situ generated ligand of 5-amino-tetrazolate (atz−) were prepared from the hydrothermal reactions of the corresponding Cd or Zn(II) salts with phenylcarboxylate, and characterized by elemental analysis, IR spectroscopy, and TGA. The results of X-ray crystallographic analysis reveal that compound [Zn2(BZA)(atz)2(OH)] n (1) (BZA=benzoic acid) presents a two-dimensional (2D) “hcb” topological network constructed from the ZnN2O2 tetrahedra. In compound [Cd6(atz)6(PTA)3] n (2) (PTA=terephthalic acid), the identical [Cd3(atz)3)]3+ n clusters are connected by atz ligands to generate a 2D cationic layer, and the neighboring cationic layers are pillared by PTA giving birth to 3D network. After simplifying, the complicated 3D network of 2 can be presented as an unprecedented (4, 4, 10)-connected trinodal topology. The formations of the structures show a good example that using the combination of the in-situ generated ligand and other coligand synthetic strategy can construct interesting topological structures. The thermal stabilities and fluorescent properties of the complexes have also been studied. [Copyright &y& Elsevier]

Abstract: Two sets of 3d–4f complexes [(NiL)nRE] (n=1, 2; RE=La and Ce; H2L=N,N′-bis(3-ethoxysalicylidene)ethylenediamine) were obtained by reacting NiL with RE(NO3)3 in the ratios of 1/1 and 2/1, respectively. With the NiL/RE ratio changing from 1/1 to 2/1, not only the crystal structures were changed from discrete dinuclear complexes [(NiL)RE] to sandwich-like trinuclear complexes [(NiL)2RE], but also the biological activities were greatly influenced. The trinuclear complexes [(NiL)2RE] exhibited higher antimicrobial activities than the corresponding dinuclear counterpart [(NiL)RE]. [Copyright &y& Elsevier]

A new inorganic-organic hybrid complex based on well-defined Keggin-type polyoxometalates and copper-lutidine assemblies, namely, [Cu 3 (3,5-Lutidine) 6 (PW 12 O 40 )] n (1) , has been obtained under hydrothermal conditions and characterized by elemental analysis and single crystal X-ray diffraction. The X-ray diffraction analysis reveals that compound 1 is three-dimensional (3D) supramolecular structure with ‘ sql’ topological 2D layer. The photocatalytic experiments indicate that 1 exhibit good catalytic activity for photodegradation of Rhodamine B (RhB) with UV irradiation. The thermal stabilities and fluorescent properties of this complex have also been studied. [ABSTRACT FROM AUTHOR]

A new multifunctional mixed-valence copper(I/II) coordination polymer, {[CuCN][Cu(isonic) 2 ]} n (1) (Hisonic = isonicotinic acid) , was synthesized by treating isonicotinic acid and 5-amino-tetrazolate (Hatz = 5-amino-tetrazolate) with copper(II) salts under hydrothermal conditions, and characterized by elemental analysis, infrared spectroscopy, and single crystal X-ray diffraction, respectively. The X-ray diffraction analysis reveals that compound exhibit noncentrosymmetric polar packing arrangement. It is three-dimensional (3D) framework with (3,5)-connected ‘ seh-3 ’ topological network constructed from metal organic framework {[Cu(isonic) 2 ]} n and the inorganic linear chain{Cu(CN)} n subunits. A remarkable feature of 1 is the rhombic open channels that are occupied by a linear chain of {Cu(CN)} n . Impressively compound 1 displays not only a second harmonic generation (SHG) response, but also a ferroelectric behavior and magnetic properties. [ABSTRACT FROM AUTHOR]

A new compound, [Ag 2 (tza)(NO 3)] n (1), was obtained by reactions of 1H-Tetrazole-1-acetic (Htza) with AgNO 3 , and characterized by elemental analysis, infrared spectroscopy, and single crystal X-ray diffraction, respectively. The X-ray diffraction analysis reveals that compound 1 is three-dimensional (3D) metal-organic framework constructed by double-layer architecture and the ligand-unsupported Ag–Ag bonds, and displays an unprecedented (3, 6)-connected topological network with 1D hexagon channels of two sizes. The 1D zigzag Ag-metallic chain built from ligand-supported Ag–Ag bonds is observed in 1. Furthermore, the photoluminescence of 1 has also been investigated, and the result exhibits blue photoluminescence in the solid state at room temperature, which shows that this complex may be a good candidate for photoactive material. According to the crystal structures, the TDDFT/6-31G(d) approach was applied to study the photoluminescence emission of 1 , and the calculated results are in good agreement with the experimental results. A new 3D framework silver/tetrazole-acetate have been synthesized and characterized by chemical methods. Complex 1 is constructed by double-layer architecture and the ligand-unsupported Ag–Ag bonds, and displays an unprecedented (3, 6)-connected topological network. It exhibits blue photoluminescence and can be considered as photoactive materials. [Display omitted] • A new 3D framework silver/tetrazole-acetate have been synthesized. • Ligand-supported/unsupported Ag–Ag bonds are observed. • It displays an unprecedented (3, 6)-connected topological network. • They display blue emissions. • They can be considered as photoactive materials. [ABSTRACT FROM AUTHOR]

Three new compounds, {[Zn(tza) 2 (H 2 O)]·H 2 O} n ( 1 ), {[Mn(tza) 2 (Htza) 2 ]·2H 2 O} n ( 2 ) and [Cd(tza) 2 ] n ( 3 ), were obtained by reactions of 1 H -Tetrazole-1-acetic (Htza) with corresponding metal salts, and characterized by elemental analysis, infrared spectroscopy, and single crystal X-ray diffraction, respectively. The X-ray diffraction analysis reveals that compound 1 is three-dimensional (3D) supramolecular structure with line chains. Compound 2 is three-dimensional (3D) supramolecular structure with Mn-carboxylate chains. Compound 3 is a 3D framework with (3,6)-connected ‘ ant ’ topological network. Furthermore, the photoluminescence of 1 and 3 and the magnetic properties of 2 have also been investigated. [ABSTRACT FROM AUTHOR]

Two new lead halide coordination polymers, [Pb 2 (pydc)I 2 ] n (1), [Pb 2 (pydc)ClI] n (2), (H 2 pydc ​= ​2,5-pyridinedicarboxylic acid) have been synthesized under hydrothermal condition, and structurally characterized by single-crystal X-ray diffraction. The results of X-ray crystallographic analysis reveal that both compounds are three-dimensional (3D) frameworks. For 1 , 1D inorganic cation [Pb 2 I 2 ] n 2n ​+ ​ribbons are fused by the carboxylate oxygen atoms to generate 2D layers. Then the 2D layers are sustained by pydc2− ligands and result in a 3D pillared framework. Remarkably, a novel 2D mixed-halide cation [Pb 2 ClI] n 2n ​+ ​layer is found in 2. The mixed-halide cation layers are further connected by pydc2− ligands and create a 3D network. In addition, solid-state properties of thermal stability and fluorescence for these crystalline materials are also presented. Time-dependent density functional theory (TDDFT) calculations reveal that the mechanism of the fluorescence emissions dominantly results from the ligand-to-metal charge transfer (LMCT) and partial the intraligand π→π∗ and/or n→π∗ transitions for 1 and 2 , which is in good agreement with their fluorescence spectra and crystal structures. Two new 3D framework lead halide/pyridinedicarboxylate complexes have been synthesized and characterized by chemical methods. The two compounds contain different [Pb 2 I 2 ] n 2n ​+ ​ribbons and mixed-halide cation [Pb 2 ClI] n 2n ​+ ​layer, respectively. They display bright yellow emissions and can be considered as photoactive materials. [Display omitted] • Two Pb(II)-halide/pyridinedicarboxylate complexes have been synthesized. • The two compounds contain different Pb-halide chains or layers. • They display bright yellow emissions. • They can be considered as photoactive materials. [ABSTRACT FROM AUTHOR]

Highlights: [•] A new Cu coordination polymer with mixed-ligands has been synthesized. [•] The 3D framework was proved by single-crystal X-ray diffraction. [•] Title compound is an unprecedented 3,5-connected ‘ fet’ topological network. [ABSTRACT FROM AUTHOR]

Abstract: A new 3D coordination polymer, Mn2(atz)(isonic)(OH)(Cl)]n (1), was synthesized hydrothermally from mixed-ligands of Hatz (Hatz=5-amino-tetrazolate) and Hisonic (Hisonic=isonicotinate) and corresponding metal salts. It was characterized by IR spectra, elemental and thermal analysis, single crystal and powder X-ray diffraction. Variable temperature magnetic investigations indicate that compound 1 exhibits typical antiferromagnetic behaviors. [Copyright &y& Elsevier]

Two new Mn(II) coordination polymers, [Mn15(atz)18(μ3-OH)4(μ3-SO4)4]n·9nH2O (1) and [Mn8(atz)4(μ-OH)4(μ4-SO4)4(H2O)4]n·nH2O (2) (atz = 5-aminotetrazolate), have been prepared under similar hydrothermal conditions except the difference of the source of the atz ligand. They were characterized by single-crystal X-ray diffraction studies, variable temperature (1.8−300 K) magnetic measurements, and thermal gravity analysis. The results of X-ray crystallographic analysis reveal that compound 1 is a 3D coordination polymer with a (3,4)-connected (83)4(86)3 topology, which is built from trinuclear [Mn3(μ3-SO4)(μ3-OH)] clusters and bridging mononuclear Mn centers. In compound 2, it contains a 3D inorganic cationic [Mn8(μ3-OH)4(μ4-SO4)4]n4+ network with an unprecedented (4,6)-connected topological net, the Schläfli symbol of which is (33·82·9)2(36·84·95). The inorganic cationic net is templated by the atz ligands to form a microporous framework with hydrophilic channels. The variable temperature magnetic data indicate that 1 exhibits antiferromagnetic behavior, whereas 2 shows ferrimagnetic behavior. Two Mn(II) coordination polymers with the in situ generated or available ligand of 5-aminotetrazolate have been prepared by the hydrothermal method. These compounds possess two kinds of 3D topological networks and different magnetic properties. This work markedly indicates that the subtle changes in the synthesis conditions profoundly influence the structures, topologies, and magnetic properties of the products. [ABSTRACT FROM AUTHOR]

Two new Pb(II) coordination polymers, namely, [Pb(Hpydc) 2 ] n (1), [Pb(Hpydc) 2 (H 2 O)] n ·2n(H 2 O) (2) (H 2 pydc ​= ​2,5-pyridinedicarboxylic acid) have been prepared by the reaction of PbCl 2 with pyridinedicarboxylic acid and fully characterized. Compound 1 contains 'sql' topological layers built from one-dimensional (1D) Pb-carboxylate infinite chains, and the layers are further packed into a 3D architecture by strong hydrogen bonds interactions. Compound 2 consists of 1D infinite chains containing Pb-dimers. The 3D supramolecular Pb(II) coordination complex of 2 is created by π – π interactions between the pyridine rings of the Hpydc ligands. In addition, solid-state properties of thermal stability and fluorescence for these crystalline materials are also presented. Time-dependent density functional theory (TDDFT) calculations reveal that the mechanism of the fluorescence emissions are dominantly resulted from the ligand-to-metal charge transfer (LMCT) and partial the intraligand π→π∗ and/or n→π∗ transitions for 1 and 2 , which are in good agreement with their fluorescence spectra and crystal structure. Two 3D supramolecular structural Pb(II)/pyridinedicarboxylate complexes have been synthesized and characterized by chemical methods. The two compounds contain different Pb-carboxylate infinite chains. They display intense and broad emission bands and can be probably used as fluorescence materials. [Display omitted] Research Highlights: • Two Pb(II)/pyridinedicarboxylate complexes have been synthesized. • The two compounds contain different Pb-carboxylate infinite chains. • They display intense and broad emission bands. • They can be probably used as fluorescence materials. [ABSTRACT FROM AUTHOR]

A novel tetranuclear lead-edta compound [Pb 4 (edta)(H 2 O) 2 (N 3) 4 ] n (1) (H 4 edta = ethylenediaminetetraacetic acid) has been synthesized by the reaction of PbF 2 with H 4 edta and NaN 3 mixed-ligands under hydrothermal conditions, and was characterized by elemental analysis, thermal analysis, luminescence, powder X-ray diffraction and single-crystal X-ray diffraction. The results of X-ray crystallographic analysis reveal that compound 1 is the first 3D Pb(II)-edta coordination polymer with a high ratio of lead. Remarkably, the edta4− ligand uses all its 10 donor atoms (8O ​+ ​2 ​N) coordinated to Pb(II) ions and formed a 2D layer. The 2D layers are further linked to a complex 3D coordination polymer by the inorganic chain [Pb 5 (N 3) 10 ] n. Time-dependent density functional theory (TDDFT) calculations reveal that the mechanism of the fluorescence emission is dominantly resulted from the ligand-to-metal charge transfer (LMCT) for 1 , which is in good agreement with its fluorescence spectra and crystal structure. Optical absorption spectra indicate that 1 has wide optical band-gaps and can be probably used as wide optical band-gap semiconductor material. A novel tetranuclear 3D Pb-edta complex, [Pb 4 (edta)(H 2 O)(N 3) 4 ] n (1), has been synthesized and fully characterized. Complex 1 is the first 3D Pb(II)-edta CPs with a high ratio of lead. The fluorescence and UV/vis diffuse reflectance properties have been investigated. And the luminescence mechanism of 1 was further validated by TDDFT theoretical calculations. Image 1 • A novel tetranuclear lead complex, [Pb 4 (edta)(H 2 O) 2 (N 3) 4 ] n (1) has been synthesized. • Complex 1 is the first 3D Pb(II)-edta CPs with a high ratio of lead. • The fluorescence and UV/vis diffuse reflectance properties have been investigated. • The luminescence mechanism of 1 was further validated by TDDFT theoretical calculations. [ABSTRACT FROM AUTHOR]