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A novel Dy-Hg compound [Dy(HIA)3(H2O)2]2n·2nHgCl4·nHgCl5·nH3O·3nH2O (1; HIA = isonicotinic acid) was prepared through a hydrothermal reaction and characterized by X-ray diffraction. The compound crystallizes in the space group of C2/c of the monoclinic system. The crystal structure of compound 1 has one-dimensional (1-D) chain-like cations. A photoluminescence experiment with a solid-state sample revealed that this compound exhibits a yellow emission band at 575 nm and, this emission band shall come from the 4f electron 4F9/2 → 6H13/2 characteristic transfer of Dy3+ ions. The compound features CIE chromaticity coordinates of 0.5168 and 0.4824 in the yellow region. A UV-visible diffuse reflectance spectrum with a solid-state sample unveiled that this compound possesses a wide optical band gap of 3.39 eV.

A novel 4f–5d material (HgDy6Br12)Hg8Br24 (1) is prepared by hydrothermal reactions and structurally characterized by single crystal X-ray diffraction. Compound 1 is characterized by a two-dimensional (2D) layered structure. A photoluminescence measurement with solid-state samples shows that this compound exhibits a strong emission in the blue region. A narrow optical band gap of 1.97 eV is revealed by a solid-state UV/Vis diffuse reflectance spectrum. The variable-temperature magnetic susceptibility obeys the Curie-Weiss law (cm= c/(T–q)) with C = 0.78 K and a Weiss constant θ = –0.38 K as revealed by the magnetic measurements, suggesting the existence of an antiferromagnetic interaction.

A novel terbium-mercury compound [Tb(IA)3(H2O)2(Hg2Cl4)]n·nHgCl2·nH2O (1, HIA = isonicotinic acid) was prepared via a hydrothermal reaction and structurally characterized through single-crystal X-ray diffraction technique. This compound is characterized by a three-dimensional (3-D) framework. Photoluminescence experiments with solid-state samples uncovered that this compound can show yellow light emission with the emission peaks at 490, 545, 586 and 621 nm, respectively. These photoluminescence emission peaks are originated from the characteristic emission of the 4f electrons intrashell transition of the 5D4 → 7FJ (J = 6, 5, 4, 3) of the Tb3+ ions. An energy transfer mechanism is expatiated by applying the energy level figure of the terbiumions and isonicotinic acid. This compound possesses a remarkable CIE chromaticity coordinates (0.3525, 0.4032). A wide optical band gap of 2.51 eV of the title compound is determined by using the solid-state UV/Vis diffuse reflectance spectroscopy.

A novel cadmium complex with mixed ligands {[Cd(2,2'-biim)(4,4'-bipy)(H2O)(ClO4)] (ClO4)}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 Pna21 of the orthorhombic system and exhibits a one-dimensional zigzag chain structure consisting of [Cd(2,2'-biim)(4,4'-bipy)(H2O)(ClO4)]nn+ cationic chains and isolated ClO4– 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.

A novel bismuth photoluminescent material, (N,N′-dimethyl-2,2′-bipy)2(Bi2Cl10)·2H2O (1) (bipy = bipyridine), with the N,N′-dimethyl-2,2′-bipy2+ moiety obtained in situ, has been synthesized under solvothermal conditions and characterized by single-crystal X-ray diffraction. Compound 1 is characterized by an isolated structure, consisting of N,N′-dimethyl-2,2′-bipy2+ cations, Bi2Cl104– anions and lattice water molecules. Photoluminescence experiments with solid-state samples discover that compound 1 exhibits a strong emission in the green region. Time-dependent density functional theory (TDDFT) calculation reveals that the essence of the photoluminescence of 1 can be assigned to the combination of the metal-to-ligand charge transfer (MLCT) (from the HOMO of the bismuth ion to the LUMO of the N,N′-dimethyl-2,2′-bipy2+ moiety) and the ligand-to-ligand charge transfer (LLCT) (from the HOMO of the chloride ions to the LUMO of the N,N′-dimethyl-2,2′-bipy2+ moiety).

A new isonicotinic acid compound with infinite mercury halide anionic chains, (HgCl3)n (C6NO2H6)n(C6NO2H5)n•nH2O (1), was obtained from the hydrothermal reaction and structurally characterized by X-ray single diffraction. The title compound is characteristic of a one-dimensional structure, based on one-dimensional (HgCl3)- anionic chains, protonated isonicotinic acid, neutral isonicotinic acid molecules and lattice water molecules. The protonated isonicotinic acid, neutral isonicotinic acid molecules and lattice water molecules are interconnected via hydrogen bonds to form a three-dimensional supramolecular framework. The (HgCl3)- anionic chains are anchored in the voids of the supramolecular framework via hydrogen bonds. Photoluminescent investigation reveals that the title compound displays a strong emission in blue region. The emission band is identified as the π-π* transitions of the isonicotinic acid moieties.

A novel bimetallic 4f–3d metal-isonicotinic acid inorganic–organic hybrid complex [{Eu(NC5H4COOH)3(H2O)2}(1.5ZnCl4)•(2H2O)]n (1) was synthesized via a hydrothermal reaction and structurally characterized by single-crystal X-ray diffraction. Complex 1 crystallizes in the space group C2/c of the monoclinic system with eight formula units in a cell: a = 23.878(8) Å, b = 20.573(6) Å, c = 15.358(5) Å, β = 127.276(5)°, V = 6003(3) Å3, C18H23Cl6EuN3O10Zn1.5, Mr = 904.11 g/mol, r = 2.001 g/cm3, S = 1.077, μ(MoKα) = 3.846 mm-1, F(000) = 3536, R = 0.0270 and wR = 0.0672. Complex 1 has a characteristic, one-dimensional polycationic chain-like structure. A photoluminescent investigation revealed that the title complex displays intense emissions in the orange and red regions. The luminescence spectra show that the red emission is stronger than the orange emission. Optical absorption spectra of 1 revealed the presence of an optical gap of 3.56 eV.

A facile approach, a ball-milling reaction method, is used to design and regulate the fabrication of 14 dinuclear and 2-D cyano-bridged 4f-3d hexacyanometallates. Diamagnetism along with isomorphous structures of the [Co.sup.3+] and [La.sup.3+] ions provide an estimate of the nature of coupling between the iron (III) and lanthanide(III) ions in the [La.sup.3+]- [Fe.sup.3+] complexes.

The synthesis, crystal and band structures, and optical properties of a new quaternary cadmium and mercury pnictidehalide, (Hg2Cd2As2Br)Br, are reported. The electronic band structure along with the density of states (DOS) calculated by the density functional theory (DFT) method has shown that compound (Hg2Cd2As2Br)Br is a semiconductor with an indirect band gap and that the optical absorption mainly originates from the charge transitions from the Br2-4p and As-4p to Cd-5s and Hg-6s states.

A manganese complex with mixed ligands, [Mn(2,2'-biim)2(4,4'-bipy)]n[Mn(2,2'-biim)3]2n6n(ClO4)·8nH2O (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. [ABSTRACT FROM AUTHOR]

A novel cadmium compound, [(CdI3)2(µ2-I)]2(Me2-4,4'-H2bipy)3 (1) (Me = methyl; 4,4'-bipy = 4,4'-bipyridine) with the Me2-4,4'-H2bipy moiety generated in situ, has been prepared through a solvothermal reaction and structurally characterized by X-ray single crystal diffraction analysis. Compound 1 is characterized by an isolated structural motif, consisting of [(CdI3)2(µ2-I)]3- anions and Me2-4,4'-H2bipy2+ cations. The [(CdI3)2(µ2-I)]3- anions and Me2-4,4'-H2bipy2+ cations interconnect together via C-H···I hydrogen- bonding interactions to complete a three-dimensional (3D) supramolecular network. Solid state fluorescent spectrum reveals an emission band in the violet region. [ABSTRACT FROM AUTHOR]

A novel zinc complex [Zn3(2,2'-bi-1H-imidazole)2(1H-biimidazole)2(SO4)2]n has been synthesised through a solvothermal reaction and structurally characterised by single-crystal x-ray diffraction. It has a one-dimensional chain-like structure with both tetrahedral and square pyramidal zinc atoms. A three-dimensional supramolecular framework is constructed through hydrogen-bonding interactions. Photoluminescence shows that the complex displays an emission in the blue region of the light spectrum that time-dependent density functional theory calculations reveal can be attributed to ligand-to-ligand charge transfer. Solid-state diffuse reflectance measurements show the existence of a narrow optical band gap of 2.08 eV. [ABSTRACT FROM AUTHOR]

[Sm(H2O)4(NO3)3](4,4'-Hbipy)2(NO3)2 (1) (bipy = bipyridine) has been synthesized via hydrothermal reaction and characterized by X-ray diffraction. The title complex features an isolated structure, based on discrete 4,4'-Hbipy moieties, isolated nitrates and [Sm(H2O)4(NO3)3] species. The samarium ion is in a distorted bicapped square antiprism environment, coordinated by three bidentate nitrates and four coordination water molecules. The 4,4'-Hbipy moieties, isolated nitrates and [Sm(H2O)4(NO3)3] species are held together via hydrogen bonds and π...π interactions to form a 3-D supramolecular framework. Luminescent investigation reveals a strong emission in blue region. Optical absorption spectrum of 1 reveals the presence of an optical gap of 3.60 eV. [ABSTRACT FROM AUTHOR]

A novel terbium-containing fluorescent material, [Tb(CH3COO)2(H2O)3]Cl (1), has been prepared by a facile approach, i.e. an ultrasonic synthesis. Compound 1 has been structurally characterized via single-crystal X-ray diffraction and it crystallizes in the space group P21/n of the monoclinic system with four formula units in a cell. Compound 1 features a novel one-dimensional (1-D) chain-like structure. The 1-D chains are interconnected by hydrogen bonds to yield a 3-D supramolecular framework. Photoluminescent investigation reveals that compound 1 displays strong emission bands identified as the characteristic emissions of 5D4 → 7FJ (J = 3, 4, 5, 6) of Tb3+. [ABSTRACT FROM AUTHOR]

A novel zinc-isonicotinic acid complex [Zn(Hini)(Ini)Cl]n (1) (Hini = isonicotinic acid; Ini = deprotoned isonicotinic acid) has been synthesized via a hydrothermal reaction and structurally characterized by a single-crystal X-ray diffraction. Complex 1 crystallizes in the space group P21/c of the monoclinic system with four formula units in a cell: a = 7.654(4), b = 13.540(7), c = 14.213(3) Å, β = 122.21(1), V = 1246.2(10) ų , C12H9 ClN2 O4 Zn, Mr = 346.05, Dc = 1.844 g/cm³, S = 1.017, µ(MoKα) = 2.199 mm-1 , F(000) = 696, R = 0.0206 and wR = 0.0500. Complex 1 is characteristic of a novel one-dimensional (1-D) chain-like structure. Photoluminescence investigation reveals a strong emission, which may originate from π → π charge-transfer interaction of the isonicotinic acid ligand. [ABSTRACT FROM AUTHOR]

The 4f-3d heterometallic complexes {[Nd(L)3 (H2O) 2]2 (ZnCl4)3}n · 4nH2O (1) (L = isonicotinic acid) and {[Sm(L')3 (H2 O) 2]2 (ZnCl4)}n · 2nH2 O (2) (L' = nicotinic acid) have been obtained by hydrothermal reactions and structurally characterized by X-ray single-crystal diffractions. Both complexes feature an infinite 1-D polycationic chainlike structure. Photoluminescent investigations reveal that both complexes display totally different emissions. The emission of complex 1 is attributed to the π → π* charge-transfer interaction of the isonicotinic acid. Complex 2 exhibits emissions in a wide range, and the emissions are ascribed to the characteristic emissions of 4G5/2 6HJ (J = 5/2, 7/2, 9/2, 1 1/2) of Sm3+ ions. [ABSTRACT FROM AUTHOR]

In Situ Synthesis, Crystal Structure and Fluorescence of Zn(C5H4NCO2H) 2(H2O)2·2Cl (1) has been synthesized in situ via hydrothermal reaction and characterized by single crystal X-ray diffraction. The crystal belongs to monoclinic, space group P2 /c with a = 6.342(2), b = 10.164(3), c = 13.717(4) Å, ß = 113.62(1)°, C12H14Cl2N2O6Zn, 14 Mr = 418.54, V = 810.1(4) Å , Z = 2, Dc = 1.716 g/cm³ , S = 1.063, μ(MoKα) = 1.875 mm-1 , F(000) = 424, R = 0.0276 and wR = 0.0780. The crystal structure analysis of 1 reveals that the title compound features a structure consisting of isolated units, based on discrete chloride ions and octahedral zinc cations six-coordinated by four oxygen and two nitrogen atoms. The chloride ions and [Zn(C5H4NCO2H) 2(H2O)2]2+ moieties are interconnected by hydrogen bonding interactions to yield a 3-D supramolecular framework. Luminescent investigation reveals an emission in blue region, which may be originating from π→π* charge-transfer interaction of the pyridine-2-carboxylic acid. [ABSTRACT FROM AUTHOR]

A novel bimetallic 4f-3d metal-isonicotinic acid inorganic-organic hybrid complex [{Eu(NC5H4COOH)3(H2O)2}(1.5ZnCl4)·(2H2O)]n (1) was synthesized via a hydrothermal reaction and structurally characterized by single-crystal X-ray diffraction. Complex 1 crystallizes in the space group C2/c of the monoclinic system with eight formula units in a cell: a = 23.878(8) Å, b = 20.573(6) Å, c = 15.358(5) Å, ß = 127.276(5)°, V = 6003(3) Å3, C18H23Cl6EuN3O10Zn1.5, Mr = 904.11 g/mol, ρ = 2.001 g/cm3, S = 1.077, μ(MoKα) = 3.846 mm-1, F(000) = 3536, R = 0.0270 and wR = 0.0672. Complex 1 has a characteristic, one-dimensional polycationic chain-like structure. A photoluminescent investigation revealed that the title complex displays intense emissions in the orange and red regions. The luminescence spectra show that the red emission is stronger than the orange emission. Optical absorption spectra of 1 revealed the presence of an optical gap of 3.56 eV. [ABSTRACT FROM AUTHOR]

(4,4′-H2bipy)[CdI4]·H2O (1) has been synthesized via hydrothermal reaction and characterized by single crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 8.3935(6), b = 24.304(2), c = 9.9388(7) Å, β = 106.230(1)°, C10H12CdI4N2O, Mr = 796.22, V = 1946.6(2) Å3, Z = 4, Dc = 2.717 g/cm3, S = 1.080, μ(MoKα) = 7.458 mm-1, F(000) = 1416, R = 0.0439 and wR = 0.1455. The crystal structure analysis of 1 reveals that the title compound features an isolated structure, based on discrete 4,4′-H2bipy moieties, lattice water molecules and tetrahedral cadmium atoms terminally coordinated by four iodine atoms. The 4,4′-H2bipy moieties and lattice water molecules are linked via hydrogen bonds. Luminescent investigation reveals a strong emission in blue region, which may be originating from π → π* charge-transfer interaction of the 4,4-H2bipy. [ABSTRACT FROM AUTHOR]

The self-assembly reactions of Ln(NO 3) 3·aq (Ln = La, Nd, Sm, Gd, Dy, Er, and Yb) with K 3[Fe(CN) 6] and three monosulfoxide ligands, dimethylsulfoxide (DMSO), diethylsulfoxide (DESO), and tetramethylene sulfoxide (TMSO), respectively, in water give rise to three series of 21 Ln III−Fe IIIcomplexes with ten kinds of compositions and structures: cis-[Fe(CN) 4(μ-CN) 2La(H 2O) 3(DMSO) 3] n· nH 2O ( 1), [Fe(CN) 5(μ-CN)Ln(H 2O) 3(DMSO) 4]·H 2O [Ln = Nd ( 2), Dy ( 5)], [Fe(CN) 5(μ-CN)Ln(H 2O) 4(DMSO) 3]·H 2O [Ln = Sm ( 3), Gd ( 4)], trans-[Fe(CN) 4(μ-CN) 2Ln(H 2O)(DMSO) 4] n[Ln = Er ( 6), Yb ( 7)], [Fe(CN) 6][La(H 2O) 6(DESO) 3] ( 8), trans-[Fe(CN) 4(μ-CN) 2Ln(H 2O) 4(DESO) 2] n·2 nH 2O [Ln = Nd ( 9), Sm ( 10), Gd ( 11), Dy ( 12), Er ( 13)], cis-[Fe(CN) 4(μ-CN) 2Yb(H 2O) 3(DESO) 2] n·2 nH 2O ( 14), [Fe(CN) 5(μ-CN)Ln(H 2O) 3(TMSO) 4]·1.5H 2O [Ln = La ( 15), Nd ( 16), Gd ( 18)], cis-[Fe(CN) 4(μ-CN) 2Sm(H 2O) 4(TMSO) 2] n( 17) and cis-[Fe(CN) 4(μ-CN) 2Ln(H 2O) 3(TMSO) 2] n· nH 2O [Ln = Dy ( 19), Er ( 20), Yb ( 21)]. The X-ray structure analyses show that 2− 5, 15, 16, and 18have cyano-bridged dinuclear structures; 1, 6, 7, 9− 14, 17, and 19− 21form one-dimensional (1D) chain structures; but 8is an ionic compound without cyano-bridging. For those complexes with 1D structure, there are also different configurations ascribed to the cis- or trans-coordination of bridging CN −moieties to the Fe IIIion. The coordination of two CN −moieties to one Ln IIIion is all- trans(N−Ln−N > 90°), mainly due to the steric effect of Fe(CN) 63−entities. Further, such complexes feature extensive O−H···O and O−H···N hydrogen bonds that give rise to different three-dimensional (3D) supramolecular structures and stabilize and influence these structures. The differences of composition and structure of these complexes may be attributed to the structural differences of the three monosulfoxide blocking ligands, as well as different lanthanide ions to some extent, although a general rule (or underlying relationship) can not be deduced. [ABSTRACT FROM AUTHOR]

Two structural series, including seven isomorphous heterodinuclear complexes, [Ln(DMSO)4(H2O)3(μ-CN)M(CN)5]·H2O ([La-Fe] (1), [Pr-Fe] (2), [Pr-Co] (3), [Nd-Fe] (4), [Nd-Co] (5), [Sm-Fe] (6) and [Sm-Co] (7)), and seven isostructural 2-D stairlike cyano-bridged bimetallic assemblies, [Ln(DMSO)2(H2O)(μ-CN)4M(CN)2]n ([La-Fe]n (8), [Pr-Fe]n (9), [Pr-Co]n (10), [Nd-Fe]n (11), [Nd-Co]n (12), [Sm-Fe]n (13) and [Sm-Co]n (14)) (DMSO = dimethylsulfoxide), have been rationally prepared by a facile approach, a ball-milling method, and characterized by X-ray diffraction and magnetic measurements. The isomorphous structures, in conjunction with the diamagnetism of the Co3+ and La3+ ions, allow an approximation to the nature of coupling between the iron(lll) and lanthanide(lll) ions in the Ln3+-Fe3+ complexes. The Ln3+-Fe3+ interaction is ferromagnetic for the dinuclear [Pr-Fe] (2), [Nd-Fe] (4), and [Sm-Fe] (6) systems and for the 2-D [Pr-Fe]n (9), [Nd-Fe]n (11), and [Sm-Fe]n (13) assemblies. [ABSTRACT FROM AUTHOR]

Ten compounds of the IIB metal halide/pseudohalide-bipy system, -ZnBr2(4,4‘-bipy)n(1), Cd2Br5(4,4‘-bipyH)2(CdBr3) (2), Cd3Br6(4,4‘-bipy)n(3), CdI2(4,4‘-bipy)n(4), (HgI2)2(4,4‘-bipy) (5), Hg(CN)2(4,4‘-bipy)(H2O)2n(6), HgCl2(2,2‘-bipy) (7), HgCl2(2,2‘-bipy)·2HgCl2(8), Hg3Br6(2,2‘-bipy)·HgBr2(9), and HgI2(2,2‘-bipy)·HgI2(10), have been synthesized via hydro(solvo)thermal and solid-state reactions; except for 4, all the other compounds are reported for the first time. Compound 1features a 1-D zigzag chain, based on tetrahedral zinc atoms bridged by 4,4‘-bipy molecules and terminally coordinated by two bromine atoms. The chains are linked by hydrogen bonds and ··· interactions to form a 2-D sheet. Compound 2possesses dinuclear Cd2Br5(4,4‘-bipyH)2cations and CdBr3-anions. Compound 3has a 2-D layered structure, constructed from novel triple chains and bridging 4,4‘-bipy ligands. The triple chains contain edge-shared CdBr6and CdBr5N octahedra. In 4, the layers are formed by monochains and bridging 4,4‘-bipy molecules. The monochains contain edge-shared CdI4N2octahedra. Compound 5features a discrete structure with a 4,4‘-bipy ligand bridging two HgI2moieties. Compound 6has a 1-D zigzag chain, containing octahedral mercury atoms and bridging 4,4‘-bipy molecules. In 7and 8, mercury atoms are tetrahedrally coordinated to two chlorine atoms and two nitrogen atoms. In 9, 2-, 3-, 4-, and 5-coordinated mercury atoms coexist, whereas in 10, the mercury atoms are only 2- and 4-coordinated. Photoluminescence investigations reveal that the compounds display strong emissions in the blue/green/yellow regions, which, in combination with the molecular orbital (MO) calculations of 1, 5, and 7, leads us to conclude that the emissions originate from a ligand-to-ligand charge-transfer (LLCT) transition. The solid-state diffuse reflectance spectra, IR, and TG-DTA are also presented. [ABSTRACT FROM AUTHOR]

Four cyano-bridged 4f−3d (lanthanide−transition metal) bimetallic assemblies, Sm(DMF)2(H2O)3(-CN)3M(CN)3n·nH2O (M Fe (1), Co (2)) with 2-D monolayered structures and Sm(DMF)(H2O)3(-CN)4M(CN)2n·nH2O (M Fe (3), Co (4)) with 2-D bilayered structures (DMF N,N-dimethylformamide), were rationally prepared by a facile approach, a ball-milling method, and characterized by X-ray diffraction studies and magnetic measurements. The unprecedented 2-D bilayered 4f−3d hexacyanometalates (3and 4) were obtained by controllably reducing the half amount of DMF in the reactive system in comparison with 1and 2through a ball-milling method. [ABSTRACT FROM AUTHOR]

The reactions of TMA4Ge4S10 (TMA=tetramethylammonium), Cu(NO3)2·3H2O and 4,4'-bipy under hydrothermal environment result in the formation of (H2bipy)2Ge4S10·(bipy)·7H2O (1), which has been structurally characterized by single crystal X-ray analysis. The 3-D structure of 1 can be viewed as an inorganic-organic hybrid supramolecular hydrogen-bonding (hydrogen bonds: O–H···O, N–H···N, C–H···O, N–H···O, and O–H···S) and π-π stacking network containing Ge4S4−10 clusters and novel [H2bipy···bipy···H2bipy] trimers. [ABSTRACT FROM AUTHOR]

The title compound, (C10H10N2)[CdBr4], was synthesized via a hydro­thermal reaction. Its structure features discrete 4,4′-bipyridinium cations and tetra­hedral [CdBr4]2− anions linked into ion pairs by single N—H⋯Br hydrogen bonds. Photoluminescent investigation reveals that the title compound displays a strong emission in the blue region, which may originate from π→π* charge-transfer inter­actions of the 4,4′-bipyridinium cations. [ABSTRACT FROM AUTHOR]

Details the structure of a one-dimensional copper coordination polymer containing both dicyanamide and 1,10-phenanthroline ligands. Zigzag chain formed by a polymer; Copper atom which has a slightly distorted square-pyramidal coordination environment consisting of two N atoms of the phen ligand.

Two new lanthanide mercury halide compounds with isonicotinic acid as a ligand, namely, [Gd(μ2-HIA) 2 (μ 3-IA) H2O) 2 (HgCl2)]n(nHgCl4)·3nH2O (1) (HIA = isonicotinic acid) and {[Nd(μ2-HIA) 3 (DMF)(H2O)]n}[(Hg4Br11)n] (2HgBr2)(nBr)·nH3O (2), were synthesized with solvothermal reactions and characterized by single-crystal X-ray diffraction. Compound 1 is characterized by a two-dimensional (2-D) layer-like structure, while compound 2 features a one-dimensional (1-D) chain-like structure. The lanthanide ions in both compounds are eight coordinated and show a square antiprism geometry. The mercury ions exhibit various coordination motifs. Compound 1 exhibits ultraviolet upconversion photoluminescence emission, whereas compound 2 displays red photoluminescence. The photoluminescence emissions arise from the characteristic 4f electron intrashell transitions of the 6P7/2 → 8S7/2 of the Gd3+ ions in compound 1 and the 4F9/2 → 4I9/2, 4F7/2 + 4S3/2→ 4I9/2, 4F5/2 + 2H9/2 → 4I9/2, 4F3/2 → 4I9/2 of the Nd3+ ions in compound 2. Compound 2 has CIE (Commission Internationale de l'Eclairage) chromaticity coordinates of (0.7142, 0.2857) and its CCT (correlated color temperature) is 138,224 K. Solid-state UV/Vis diffuse reflectance spectra revealed that the semiconductor band gaps of the compounds are 3.12 eV and 3.23 eV, respectively. Elemental analyses and FT-IR spectroscopy were carried out to confirm the purity of the compounds. [ABSTRACT FROM AUTHOR]

Two new lanthanide mercury materials, [Gd(IA)3(H3O)2Hg3Br6]nCl2n (1) and [La(IA)3(H3O)2Hg3Br6]nCl2n (2) (IA = isonicotinic anion), have been prepared under solvothermal conditions and characterized by single-crystal X-ray diffraction techniques. They are isomorphic and characterized by a three-dimensional (3-D) framework structure. The lanthanide ions are bound by eight oxygen atoms to exhibit a square antiprismatic geometry. The solid-state photoluminescence experiment discovers that compound 1 shows a strong emission in the red region. Compound 1 possesses CIE (Commission Internationale de I'Éclairage) chromaticity coordinates of 0.7347 and 0.2653. Its CCT (correlated color temperature) is 6514 K. Compound 2 displays yellow photoluminescence and it has CIE chromaticity coordinates of 0.4411 and 0.5151. The CCT of compound 2 is 3633 K. Solid-state UV/Vis diffuse reflectance spectra revealed that their semiconductor band gaps are 2.16 eV and 2.85 eV, respectively. [ABSTRACT FROM AUTHOR]

The title inorganic–organic hybrid complex, [CdBr2(C10H8N2)] n, features two-dimensional [CdBr2(4,4′-bipy)] n (4,4′-bipy is 4,4′-bipyridine) neutral networks, based on the octahedral Cd atom coordinated by four μ2-Br and two μ2-4,4′-bipy at trans positions, yielding a CdBr4N2 octahedron. It crystallizes in the orthorhombic system ( Cmmm). All the crystallographically independent atoms are on special positions, namely Cd on mmm, Br on mm, N on mm2, and C on sites of symmetry m or mm2. Optical absorption spectroscopy reveals the presence of an optical gap of 3.76 eV, indicating that the complex is a wide-gap semiconductor. Photoluminescence investigation reveals that the complex displays strong colour-tunable emissions, which might originate from a ligand-to-ligand charge-transfer (LLCT) transition. Thermogravimetric differential thermal analysis shows that the complex is thermally stable up to 493 K. [ABSTRACT FROM AUTHOR]

Two series of novel complexes, [Ln(dca)2(Phen)2(H2O)3](dca)·(phen) (Ln = Pr (1), Gd (2), and Sm (3), dca = N(CN)-, phen = 1,10-phenanthroline) and [Ln(dca)3(2,2′-bipy)2(H2O)]n, (Ln = Gd(4), Sm (5), and La (6), 2,2′-bipy = 2,2′-bipydine), have been synthesized and structurally characterized by X-ray crystallography. The crystal structures of the first series (1–3) are isomorphous and consist of discrete [Ln(dca)2(Phen)2(H2O)3]+ cations, dca anions, and lattice phen molecules; whereas the structures of the second series (4–6) are characterized by infinite chains [Ln(dca)3(2,2′-bipy)2(H2O)]n. The Ln(III) atoms in all complexes are nine-coordinated and form a distorted tricapped trigonal prism environment. The three-dimensional frameworks of 1–6 are constructed by intermolecular hydrogen bond interactions. Variable-temperature magnetic susceptibility measurements for complexes 1,2,4, and 5 indicate a Curie-Weiss paramagnetic behavior over 5–300 K. [ABSTRACT FROM AUTHOR]

In the title compound, [Zn(NO3)2(C2H8N2)2], the ZnII atom lies on a centre of inversion and is coordinated by four N atoms belonging to two ethylenediamine molecules and two O atoms belonging to two nitrate anions arranged in a trans manner. The ZnII ion displays a distorted octahedral coordination geometry. Adjacent complexes are connected by N—H...O hydrogen bonds formed between the H atoms of the amino groups and the uncoordinated O atoms of the nitrate anions. [ABSTRACT FROM AUTHOR]

The title compound, C9H12N2O3, is an important intermediate for the synthesis of biologically active heterocyclic compounds. The planar hydrazide group is oriented with respect to the benzene ring at a dihedral angle of 82.93 (3)°. [ABSTRACT FROM AUTHOR]

The title compound, C8H8Cl2N2OS, is an important intermediate for the synthesis of biologically active heterocyclic compounds. The planar hydrazide group is oriented with respect to the benzene ring at a dihedral angle of 88.93 (3)°. [ABSTRACT FROM AUTHOR]

The incorporation of [Mn(2,2′-bipy)2]2+ with thioarsenate resulted in the formation of two novel compounds, [Mn3-(2,2′-bipy)3(AsVS4)2]n·nH2O (1) and Mn2(2,2′-bipy)As2IIIS5 (2), in which the main-group chalcogenide framework is incorporated with a [tm(2,2′-bipy)m]n+ complex. Meanwhile, the tetrathioarsenate(V) anion acts as a new μ3-1κS: 1,2κS′:2,3κS″:3KS′″ ligand in 1, in which all four S atoms of the [AsVS4]3- anion are coordinating to metal. As a result, the two compounds exhibit semiconducting properties (Eg = 2.18 eV (1) and 1.83 eV (2)) and strong blue photoluminescence, with the emission maximum occurring at about 440 nm. Magnetic measurements show that both compounds have AF ordered states with Néel temperatures of 19 and 24 K for 1 and 2, respectively. [ABSTRACT FROM AUTHOR]

The title compound, C17H19N3O4S, is an important intermediate for the synthesis of biologically active heterocyclic compounds. The thiosemicarbazide group is approximately planar and forms dihedral angles of 33.03 (6) and 45.48 (5)° with the benzene rings. The structure is stabilized by intramolecular N—H...O, N—H...N and C—H...S, and intermolecular N—H...O, N—H...S, C—H...S and C—H...O hydrogen-bond interactions. [ABSTRACT FROM AUTHOR]