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In this work, four different bis(imidazole) ligands, namely 1,4-bis(1-imidazolyl)benzene (bib), 4,4′-bis(1-imidazolyl)biphenyl (bibp), 1,4-bis (imidazol-1-ylmethylene)benzene) (bimb) and 4,4′-bis(imidazol-1-yl)diphenyl ether (bidpe), were used as the second ligand to give rise to the structural diversity of a coordination polymer based on the cobalt-miipa (H2miipa = 5-(2-methylimidazol-1-yl) isophthalic acid) system. In compound 1, miipa2− coordinates to Co(II) atoms to form the Co-miipa 3D network. On introducing linear bis(imidazole) ligands with different lengths and rigidities into the Co(II)-miipa system, the obtained compounds 2–4 form similar three-fold interpenetrating 3D MOFs constructed from the Co(II)-miipa layers pillared by bis(imidazole) ligands. While introducing the V-shaped half-flexible bis(imidazole) ligands, the obtained compound 5 exhibits a 2D double-layered network built from the Co(II)-miipa 1D quadrangular prism linked by the bis(imidazole) ligand. Each 2D double layer is further interlocked with two neighboring ones to produce an interesting 3D framework. Significantly, CoNC-5 derived from a mixture of dicyandiamide (DCD) and compound 5 with a low void volume shows a superior electrocatalytic performance for the oxygen reduction reaction. The Eonset (0.974 V) and E1/2 (0.830 V) of CoNC-5 in O2-saturated 0.1 M KOH at 1600 rpm and 5 mV s−1 are superior to those of Pt/C (0.968 and 0.799 V). The JL value of CoNC-5 (JL = 5.29 mA cm−2) is higher than that of Pt/C (5.09 mA cm−2). [ABSTRACT FROM AUTHOR]

The urothermal reactions of Co(II)/Zn(II) salts with the diverse carboxylic acid and 1,3,5,-tris(1-imidazolyl)benzene(tib) ligands afforded three novel MOFs, namely, [Co3(tib)2(abdc)2(ox)]2·6H2O (1), [Co3O(tib)(abdc)2(DMI)]·2DMI·2H2O (2) and [Zn3I2(tib)2(napdc)2]·2DMI·2H2O (3), (H2abdc = 5-amino-1,3-benzenedicarboxylate, H2napdc = 1,4-naphthalene dicarboxylic acid and DMI = 1,3-dimethyl-2-imidazolidinone). In compounds 1 and 2, the Co(II) atoms are connected by polycarboxylate ligands to form two-dimensional (2D) layers that are pillared by tib ligands leading to the formation of 3D porous frameworks. In compound 3, the Zn(II) atoms are linked by tib ligands to form one-dimensional ribbon-like chains which are further connected by polycarboxylate ligands, making a 3D framework possible. Compound 1 can selectively adsorb unsaturated hydrocarbon molecules (C2H2 and C2H4) and saturated hydrocarbon molecules (C2H6 and CH4). Specifically, compound 1 has high IAST selectivity for acetylene and methane (0.50 : 0.50, v/v) at 273 K and 1 bar. DFT calculations reveal that the π-conjugated hexagonal carbon ring may be the primary adsorption site because there are π–π interactions between the unsaturated hydrocarbon molecules (C2H2 and C2H4) and the π-conjugated hexagonal carbon ring in the framework of compound 1. [ABSTRACT FROM AUTHOR]

A series of blue phosphorescent heteroleptic cyclometalated Ir (III) complexes with mesitylphenyl‐imidazole ligands for organic light‐emitting devices are investigated theoretically to explore their electronic structures, spectroscopic properties, and application value for organic light‐emitting devices. FCNIr, (FCN)2Ir(tpip), (FCN)2Ir(acac), (CN)2Ir(tpip), (CN)2Ir(acac), and CNIr are investigated with density functional theory approaches, where, for (FCN)2Ir(acac), FCN denotes 2,4‐difluorobiphenyl3‐carbonitrile and acac denotes acetylacetonate; for (FCN)2Ir(tpip), tpip denotes tetraphenylimido‐diphosphonate); and for (CN)2Ir(acac) and (CN)2Ir(tpip), CN denotes biphenyl‐3‐carbonitrile. [ABSTRACT FROM AUTHOR]

Abstract A series of blue and green-emitting phosphorescent heteroleptic cyclometalated Ir(III) complexes with mesityl-phenyl-imidazole Ligand for organic light-emitting devices are investigated theoretically to explore their electronic structures, spectroscopic properties and the application value for organic light emitting devices. The geometries, electronic structures, lowest-lying singlet absorptions, and triplet emissions of Ir(mpim) 3 , and the theoretically designed models Ir(F-mpim) 3 , Ir(F 2 -mpim) 3 , (mpim) 2 Ir(acac), (F-mpim) 2 Ir(acac), (F 2 -mpim) 2 Ir(acac), (mpim) 2 Ir(tpip), (F-mpim) 2 Ir(tpip), (F 2 -mpim) 2 Ir(tpip), are investigated with Density Functional Theory (DFT) approaches, where mpim denotes 1-mesityl-2-phenyl-1 H -imidazole, F-mpim denotes 2-(4-fluorophenyl)-1-mesityl-1 H -imidazole, F 2 -mpim denotes 2-(2,4-difluorophenyl)-1-mesityl-1 H -imidazole, acac denotes acetylacetonate, and tpip denotes tetraphenylimido-diphosphinate. Graphical abstract A series of heteroleptic cyclometalated Ir (III) complexes, which are used for OLED application,were investigated by DFT and TD-DFT method. The frontier molecular orbital character and charge transfer charactershown that they have theadvantagesof low efficiency roll-offproperties, which is a "stumbling block"in the process of OLED solid-lighting's development. Namely, means the materials will play animportant role in the journey development of OLED. Image 1 Highlights • Cyclometalated iridium (III) complexes have received special attention as dopants for harvesting the otherwise nonemissive triplet states formed in OLEDs, but now, most of them cannot satisfy to be used for the applications, especially for blue and green, since that a fast reduction in efficiency known as roll-off, however, occurs when the drive current increases, this leads to a much lower luminance and more power consumption. • Thus in this paper, in order to find a series of blue and green OLED materials with low efficiency roll-off properties, we theoretical design and investigate a series of Iridium complexes. • The geometries, electronic structures, the lowest-lying singlet absorptions, triplet emissions properties and the application value for organic light emitting devices were all analysed by theory in this article. [ABSTRACT FROM AUTHOR]

A series of heteroleptic cyclometalated Ir (III) complexes, which are used for OLED application, were investigated by DFT and TD-DFT method. The frontier molecular orbital character and charge transfer character shown that they have the advantages of low efficiency roll-off properties, which is a "stumbling block" in the process of OLED solid-lighting's development. Namely, means the materials will play an important role in the journey development of OLED. [Display omitted] • Cyclometalated iridium (III) complexes have received special attention as dopants for harvesting the otherwise nonemissive triplet states formed in OLEDs, but now, most of them cannot satisfy to be used for the applications, especially for Bright blue and Near-infrared , since that a fast reduction in efficiency known as roll-off, however, occurs when the drive current increases, this leads to a much lower luminance and more power consumption. • Thus in this paper, in order to find a kind of Bright blue and Near-infrared OLED materials with low efficiency roll-off properties, we theoretical design and investigate a series of Iridium complexes. • The geometries, electronic structures, the lowest-lying singlet absorptions, triplet emissions properties and the application value for organic light emitting devices were all analyzed by theory in this article. A series metal iridium complexes were calculated using the method of DFT and TD-DFT under Gaussian 09 software. H atoms on the N counter in 2-(4-fluorophenyl)pyridine were replaced with methyl and nitro groups, respectively, to obtain two main ligands CFM(2-(4-fluorobrobenyl)-4-methylpyridine) and CFN(2-(4-fluorobrobenyl)-4-nitropyridine), then we obtained six complexes: (CFM) 2 Ir(acac), (CFM) 2 Ir(tpip), (CFM) 3 Ir, (CFN) 2 Ir(acac), (CFN) 2 Ir(tpip) and (CFN) 3 Ir, Where acac is represented as pentane-2, 4-dione, tpip as tetraphenylimido-diphosphinate. The electronic structure, the lowest singlet absorption, the triple excited states as well as the emission spectrum are also theoretically studied. [ABSTRACT FROM AUTHOR]

Nine Cu(I)-cyanide metal-organic frameworks (MOFs), namely, [Cu4(CN)2(4-bpt)2]n (1), {[Cu3(CN)2(4-bpt)]·H2O}n (2), [Cu2(CN)(3-bpt)]n (3), [Cu2(CN)2(3-Hptz)]n (4), [Cu3(CN)2(3-ptz)]n (5), [Cu7(CN)7(3-tpt)2]n (6), {[Cu9(CN)9(btb)2]·btb}n (7), [Cu2(CN)2(4-azpy)]n (8), and [Cu3(CN)3(bpp)]n (9) (4/3-Hbpt = 3,5-bis(4/3-pyridyl)-1,2,4-triazole; 3-Hptz = 3-pyridyl-tetrazole; 3-tpt = 2,4,6-tris(3-pyridyl)-1,3,5-triazine; btb = 1,4-bis(1,2,4-triazol-4-yl)benzene; 4-azpy = 4,4'-azobispyridine; bpp = 1,3-bis(4-pyridyl)propane), were synthesized under hydrothermal conditions and structurally characterized. The 4-bpt, 3-bpt, and 3-Hptz ligands in 1-4 were in situ generated by cycloaddition reactions. Their structural features vary from two-dimensional (2D) (3), three-dimensional (3D) (4, 5, 6), 3D 2-fold interpenetration (1, 2, 8), to 3D 3-fold interpenetration (7, 9). Complex 1 is an intriguing 3D metal-organic framework (MOF) with a nanosized rectangular channel. Complex 3 exhibits a chiral 2D double-layered network prepared by achiral component. Complex 6 is a 3D MOF constructed from six μ2-cyanides, a μ3-cyanide, and a μ3-tpt ligand. Complex 7 shows an interesting 3D MOF with (3.4)-connected 5-nodal net, containing a btb guest molecule in the rectangular channel. Complex 8 is a 3D MOF assembled by a 2D [Cu2(CN)2]n network pillared by a 4-azpy spacer. Complex 9 is a 3D MOF with ths topology. Their structural diversity originates from the variation of Cu(I) coordination numbers and three types of cyanide-bridging modes, tuned via various bidentate (4-azpy, bpp), tridentate (3-Hptz, 3-tpt), and tetradentate (4-bpt, 3-bpt, 3-ptz, btb) N-heterocyclic ligands. Infrared spectra and cyanide coordination modes are discussed in detail. The characteristic ν(C≡N) stretching frequencies in μ2-CN complexes show linear correlation with the Cu-CN bond distances. A decrease of about 6.7 cm-1 in ν(C≡N) corresponds to a 0.01 Å elongation of the Cu-CN bond. These Cu(I) complexes exhibit good thermally stability and emit strong luminescence at 386-593 nm. [ABSTRACT FROM AUTHOR]

Three Cu(I)-cyanide coordination polymers based on trigonal 1,3,5-tris(1H-imidazol-1-yl)benzene (tib) ligand, namely [Cu 3 (CN) 3 (tib)] n ( 1 ), [Cu 4 (CN) 4 (tib)] n ( 2 ), and [Cu 2 (CN) 2 (tib)] n ( 3 ), have been prepared and characterized by elemental analysis, IR, PXRD, thermogravimetry and single-crystal X-ray diffraction analysis. Complex 1 displays a 3D metal-organic framework with nanosized pores. Complex 2 is a 3D coordination polymer assembled by three μ 2 -cyanides and a μ 3 -cyanide with a very short Cu(I)···Cu(I) metal bond(2.5206 Å). Complex 3 is a 2D coordination polymer constructing from 1D Cu(I)-cyanide zigzag chain and bidentate tib spacer. Three Cu(I) complexes are thermally stable up to 250–350 °C. Complexes 1 – 3 show similar orange emission band at 602 nm originating from LMCT mechanism. [ABSTRACT FROM AUTHOR]

Metal salts and 3/4-pyridyltetrazoles (3/4-Hptz) react with oxalic acid (H2ox), 1,2,4,5-benzenetetracarboxylic acid (H4btec), isophthalic acid (H2ip), and 1,2,3,4-butanetetracarboxylic acid (H4btca) to afford six coordination polymers, namely, [Cu(4-ptz)(ox)0.5]n (1), [Cu(4-Hptz)(btec)0.5]n (2), [Co2(3-ptz)(ip)(OH)(H2O)]n (3), {[Co1.5(3-ptz)(btca)0.5(H2O)]·H2O}n (4), {[Co3(4-ptz)2(btca)(H2O)3]·2H2O}n (5), and {[Cd2(4-ptz)2(btca)0.5(H2O)3]·DMF·4H2O}n (6). Their structures were characterized by EA, IR, PXRD, TGA, and single-crystal XRD. 3/4-Pyridyltetrazoles display μ2-, μ3-, and μ5-coordination modes in them. Complex 1 is a 3D MOF constructed from a 2D (4,4) [Cu(4-ptz)]n grid pillared by an oxalate spacer. Complex 2 displays a 2D network containing a square planar Cu1 and elongated octahedral Cu2 centers. Complex 3 shows a 2D network containing μ5-ptz, μ3-ip, and μ3-OH. Complex 4 exhibits a 3D MOF assembled by a 2D [Co1.5(btca)0.5]n network pillared by a 3-ptz spacer. Complex 5 displays a 3D porous MOF with nanosized rectangular tunnels. Complex 6 features a 3D porous MOF built by 2D [Cd2(4-ptz)(btca)0.5]n network pillared by a 4-ptz spacer. Variable-temperature magnetic susceptibility and magneto-structural correlation studies indicate that five CuII/CoII complexes present remarkable magnetic coupling diversity from ferro-, to ferri-, to antiferromagnetic interactions. Complex 1 shows strong antiferromagnetic behavior originating from the oxalate-bridging CuII dimer (Jox = −94.7 cm-1) and the tetrazole-bridging CuII dimer (Jptz = −61.0 cm-1). Complex 2 presents a weak ferromagnetic interaction (J = 0.82 cm-1) originating from the magnetic orbital orthogonality between square planar CuII and octahedral CuII centers. Complex 3 displays ferrimagnetic coupling in the Co3(μ3-OH) triangle. Two btca CoII complexes show antiferromagnetic interactions originating from carboxyl-bridging trinuclear CoII clusters with the θ values of −17.08 K for 4 and −8.6 K for 5. The thermal behaviors of these nitrogen-rich tetrazole complexes are investigated. Anhydrous complexes 1-3 containing rigid polycarboxylates are thermally stable to 250-300 °C and then decompose explosively, whereas complexes 4-6 with flexible butanetetracarboxylate decompose smoothly. [ABSTRACT FROM AUTHOR]

The title compound, [Cd3(C8H10O4)3(C12H9N3)2(H2O)2] n or [Cd3(chdc)3(4-PyBIm)2(H2O)2] n, was synthesized hydrothermally from the reaction of Cd(CH3COO)2·2H2O with 2-(pyridin-4-yl)-1 H-benzimidazole (4-PyBIm) and cyclohexane-1,4-dicarboxylic acid (1,4-chdcH2). The asymmetric unit consists of one and a half CdII cations, one 4-PyBIm ligand, one and a half 1,4-chdc2− ligands and one coordinated water molecule. The central CdII cation, located on an inversion centre, is coordinated by six carboxylate O atoms from six 1,4-chdc2− ligands to complete an elongated octahedral coordination geometry. The two terminal rotationally symmetric CdII cations each exhibits a distorted pentagonal-bipyramidal geometry, coordinated by one N atom from 4-PyBIm, five O atoms from three 1,4-chdc2− ligands and one O atom from an aqua ligand. The 1,4-chdc2− ligands possess two conformations, i.e. e, e- trans-chdc2− and e, a- cis-chdc2−. The cis-1,4-chdc2− ligands bridge the CdII cations to form a trinuclear {Cd3}-based chain along the b axis, while the trans-1,4-chdc2− ligands further link adjacent one-dimensional chains to construct an interesting two-dimensional network. [ABSTRACT FROM AUTHOR]

Six zinc metal–organic frameworks,namely, [Zn(bpmb)(HCOO)]n·[Zn(bpmb)(OH)]n·4nH2O (1), [Zn(bpmb)(HCOO)]n(2), [Zn2(bpmb)2(fum)]n·9nH2O (3), [Zn3(bpmb)2(d-cam)2]n(4), [Zn2(bpmb)(1,3,5-btc)]n·nDMA (5), and [Zn(bpmb)(1,2,4,5-H2btec)]n·4nH2O (6) (Hbpmb = 3,5-bis(4-pyridylmethoxy)benzoicacid; H2fum = fumaric acid; d-H2cam= d-camphoric acid; 1,3,5-H3btc = 1,3,5-benzenetricarboxylicacid; 1,2,4,5-H4btec = 1,2,4,5-benzenetetracarboxylic acid;DMA = N,N-dimethylacetamide), weresynthesized under solvothermal conditions. Their structures were characterizedby EA, IR, PXRD, TG, and single-crystal XRD. Complex 1is constructed of two independent neutral 3D MOFs with large 1Dnanosized square channels, which are further entangled by each otherto give an unexpected 4-fold [2 + 2] interpenetrating architecture.Complex 2is a 3D MOF constructed from tetradentate bpmband bidentate formate ligands, which is an isomer of the [Zn(bpmb)(HCOO)]npiece in 1. Complex 3displays a 2D double-layered network that possesses 1D nanosizedpores. Each 2D double layer is further interlocked with two neighboringones to form an interesting 3D polycatenation array. Complex 4possesses a 2D network constructed from a trinuclear [Zn3(COO)6N4] cluster and Zn–camdouble-helical chain. Complex 5is a 3D porous MOF constructedfrom tridentate bpmb and hexadentate 1,3,5-btc ligands. Complex 6exhibits a 2-fold interpenetrating 2D wavelike (4,4) networkconstructed from bidentate bpmb and 1,2,4,5-H2btec ligands.The bpmb ligand adopts four types of coordination modes in 1–6. The secondary carboxylate ligands have obviouseffects on their coordination architectures. Tetrahedral-, octahedral-,and trigonal-bipyramidal geometries around Zn(II) ions are observed.A general solvothermal method is proposed for preparing carboxylatecomplexes in DMF−H2O solution without any basicadditive. In the preparation of 3, maleic acid is convertedto a fumarate ligand. The thermal stabilities of six complexes andN2adsorption behaviors of 1and 3are investigated. All the Zn(II) complexes emit blue luminescenceoriginating from ligand-centered emission. [ABSTRACT FROM AUTHOR]

Highlights: [•] Six 3-(4-hydroxypyridinium-1-yl)phthalate coordination polymers were prepared. [•] Complex 4 exhibits a 1D nano-tubular structure with larger cavity occupied by (H2O)5 cluster. [•] Four typical coordination modes of 3-(4-hydroxypyridinium-1-yl)phthalate are observed. [•] Complexes 1 and 3 exhibit blue luminescence. [ABSTRACT FROM AUTHOR]

MnII and CoII salts reacting with 4-(4-carboxyphenyl)-4,2′:6′,4″-terpyridine (4-Hcptpy) in DMF/H2O afford two complexes, [Mn(4-cptpy)(DMF)(H2O)2] n ·n(4-cptpy)·nDMF (1) and [Co(4-cptpy)2(H2O)2] n (2). Complex 1 is a 1D ribbon coordination polymer assembled by Mn2 dimer and tridentate 4-cptpy ligand. The guest 4-cptpy anion is embedded in 3D supramolecular architecture with strong hydrogen bonds. Complex 2 is a 1D linear chain coordination polymer with quadrangled pores. The complex 1 releases H2O and DMF in 87–150°C, and the anhydrous [Mn(4-cptpy)] n ·n(4-cptpy) remains thermally stable until 403°C. Variable temperature magnetic susceptibility study in 2–300K proves that a weak antiferromagnetic interaction exists in the (μ-O2CR)2Mn2 core. [ABSTRACT FROM AUTHOR]

A series of heteroleptic cyclometalated Ir(III) complexes for organic (OLEDs) application have been investigated theoretically to explore their electronic structures and spectroscopic properties. The geometries, the electronic structures, the lowest-lying singlet absorptions and triplet emissions of Ir(dfppy)2(tpip), Ir(tfmppy)2(tpip), and theoretically designed models of Ir(ppy)2(tpip) were investigated with the density functional theory (DFT)-based approaches, where ppy = 2-phenylpyridine, dfppy = 4,6-difluorophenylpyridine, tfmppy = 4-trifluoromethylphenylpyridine, and tpip = tetraphenylimidodiphosphinate. Their structures in the ground and their excited states have been optimized at the DFT/Becke 3-parameter Lee Yang Parr (B3LYP)/Los Alamos National Laboratory 2-double-z (LANL2DZ) and time-dependent DFT/B3LYP/LANL2DZ levels, and the lowest absorptions and emissions were evaluated at B3LYP and M062X level of theory, respectively. Furthermore, the energy transfer mechanism together with the advantage of low efficiency roll-off for these complexes also can be analyzed here. Copyright © 2013 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

The series of heteroleptic cyclometalated Ir(III) complexes for organic light-emitting display application have been investigated theoretically to explore their electronic structures and spectroscopic properties. The geometries, electronic structures, and the lowest-lying singlet absorptions and triplet emissions of Ir-(pmb)3 and theoretically designed models Ir-(Rpmb)2pic were investigated with density functional theory (DFT)-based approaches, where pmb = phenyl-methyl-benzimidazolyl, pic = picolinate, and R = H/F. Their structures in the ground and excited states have been optimized at the DFT/B3LYP/LANL2DZ and TDDFT/B3LYP/LANL2DZ levels, and the lowest absorptions and emissions were evaluated at B3LYP and M062X level of theory, respectively. The mobility of holes and electrons were studied computationally based on the Marcus theory. Calculations of ionization potentials were used to evaluate the injection abilities of holes into these complexes. The reasons for the higher electroluminescence efficiency and phosphorescence quantum yields in Ir-(Rpmb)2pic than in Ir-(pmb)3 have been investigated. The designed moleculars are expected to be highly emissive in pure-blue region. © 2013 Wiley Periodicals, Inc. [ABSTRACT FROM AUTHOR]

Abstract: Four novel coordination polymers constructed from flexible pamoic acid, namely [Co(pam)(4,4′-bipy)] n ·nH2O (1), [Ni(pam)(4,4′-bipy)(H2O)2] n ·2nCH3CN (2), [Cd(pam)(py)2] n ·npy (3) and [Mn2(pam)2(py)6(H2O)2] n ·2npy (4), (H2pam=pamoic acid, 4,4′-bipy=4,4′-bipyridine, py=pyridine), have been synthesized and characterized by elemental analysis, infrared spectra and X-ray crystallography. Complex 1 is a 2-D coordination polymer constructed from chelating bis-bidentate pam and 4,4′-bipyridine bridging ligands. Complex 2 is a 2-D coordination polymer assembled by bis-monodentate pam and 4,4′-bipyridine, where acetonitrile is filled in the rectangle channels. Both 2-D coordination polymers display undulated (4,4) grid layers as sql topology. Complex 3 displays a 1-D polymeric chain using chelating bis-bidentate pam as bridging ligand. Complex 4 exhibits an interesting bis-monodentate pam-Mn(II) 1-D polymeric chain, in which exist two-type six-coordinated manganese centers. Mn(1) is bound to four pyridine ligands, whereas Mn(2) is combined to two pyridine and two H2O molecules. Their thermal stabilities have been investigated. Cadmium complex 3 displays strong green luminescence with emission maximum at 543nm. [Copyright &y& Elsevier]

Abstract: The reactions of metal salts with pyrazine-2,3-dicarboxylic acid (H2pzdc), pyridine-2,5-dicarboxylic acid (H2pydc), pyrazine-2,3,5,6-tetracarboxylic acid (H4pztc), 4,4′-bipyridine (bipy) and 1,10-phenanthroline (phen) afforded four new ternary complexes, namely [Co2(pzdc)2(bipy)(H2O)2] n ·3nH2O (1), [Zn2(pzdc)2(bipy)(H2O)2] n ·3nH2O (2), [Co(pydc)2(H2O)2](H2bipy) (3) and [Cu2(pztc)(phen)2(H2O)2]·2HNO3·2H2O (4). The metal centers are all six-coordinated. Compounds 1 and 2 are 2D coordination polymers exhibiting wave-like polymeric networks. The 2D layers are stacked in an interpenetrating mode to form double-layered frameworks, which possess ∼8Å×6Å tunnels occupied by (H2O)6 clusters. Compound 3 is a mononuclear supramolecular compound in which 4,4′-bipyridine is protonated and acted as a cationic building block. Compound 4 is a centro-symmetric binuclear complex. Pztc4− as a hexadentate ligand coordinates to two Cu(II) ions to form four chelating rings. Phen are arranged in an ABAB parallel fashion to form a supramolecular architecture incorporating HNO3 lattice molecule. The thermal stabilities of 1−4 and luminescence of zinc complex 2 were also investigated. [Copyright &y& Elsevier]

Hydrothermal reactions of AgNO 3 , K 3 [Fe(CN) 6 ] with N-heterocyclic ligands afforded three novel Ag(I)–cyanide coordination polymers, [Ag 2 (CN) 2 (tpt)] n ( 1 ), {[Ag(CN)(bpe) 0.5 ][Ag(CN)]} n ( 2 ) and [Ag(CN)(btmb) 0.5 ] n ( 3 ) (tpt = 2,4,6-tris(4-pyridyl)-1,3,5-triazine, bpe = 1,2-bis(4-pyridyl)ethane, btmb = 1,2-bis(1,2,4-triazol-1-ylmethyl)benzene). In complex 1 , two Ag(CN) linear chains are bridged by bidentate tpt ligand to form a ladder-like structure, which are further connected by Ag Ag metal bond to generate a 2D polymeric network. Complex 2 is an interesting 3D supramolecular architecture assembled by 2D [Ag 1 (CN)(bpe) 0.5 ] n network and linear [Ag 2 (CN)] n chain combined by strong Ag Ag metal bond. Complex 3 is a 1D ladder-like double-chain polymer constructed from Ag–cyanide linear chains and btmb spacer, which is further extended to a 2D supramolecular network by Ag–Ag weak interaction. The Ag–Ag metal interactions play important roles in the construction of three coordination polymers. Complexes 1 and 2 are respectively thermally stable at 300 and 180 °C. Complexes 1 and 3 emit strong blue luminescence. [ABSTRACT FROM AUTHOR]

Abstract: Hydrothermal reaction of CuCN with 2,5-bis(3-pyridyl)-1,3,4-oxadiazole (3-bpo) affords a wave-like infinite chain coordination polymer [Cu2(CN)2(3-bpo)] n (1). Replacement of 3-bpo by its isomer 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (4-bpo) could yields polymer [Cu(CN)(4-bpo)] n (2). In the complex 1, the bent 3-bpo ligand adopts bidentate chelating mode binds with the Cu(I)-cyanide chain to form 16-membered macrocyclic structure. The complex 2 exhibits a layered metal–organic framework, in which exo-bidentate 4-bpo ligand connects the Cu(I)-cyanide chains to form 2-D rectangle grid. Both of these Cu(I) complexes are thermal stable under 200°C and release 3-bpo or 4-bpo ligand in 200–360°C. Luminescent study reveals that 1 has green-light emission, while 2 has blue-light emission. [Copyright &y& Elsevier]

Five new metal-organic frameworks based on 2,4,6-tris(4-pyridyl)-1,3,5-triazine (tpt) ligand have been hydrothermally synthesized. Reaction of tpt and AgNO3 in an acidic solution at 180 °C yields {[Ag(Htpt)(NO3)]NO3 · 4H2O}n (1). Ag(I) is trigonally coordinated by two pyridyl nitrogen and one nitrato oxygen to form a 1D zigzag chain. Reaction of tpt with CuSO4 affords {[Cu2(tpt)2(SO4)2(H2O)2] · 4H2O}n (2). Copper(II) is bonded to two pyridyl nitrogen, two sulfato oxygen, and two water oxygen atoms to form an elongated octahedral geometry. Each H2O ligand bridges two copper(II), whereas sulfate bridges copper(II) via μ-1,3 and μ-1,1 fashions. The copper(II)-sulfate-H2O 2D layers are linked by bidentate tpt to form a 3D polymeric structure. Reaction of Cu(SO4)2, tpt, and 1,2,4,5-benzenetetracarboxylic acid (H4btec) in the presence of piperidine gives [Cu(tpt)(H2btec)1/2]n (3). Copper(I) is located in a trigonal-pyramidal coordination environment and coordinated by three pyridyl nitrogen of tpt in a plane, whereas a carboxylate oxygen is coordinated to the copper(I) axially. The tpt-Cu forms a layer, and the layers are linked through H2btec2- to form a 2D double-layered coordination polymer. Replacing CuSO4 with ZnI2 in the synthesis gives {[Zn(tpt)(btec)1/2] · H2O}n (4). Zinc(II) is in a distorted tetrahedral geometry and linked through bidentate tpt and exotetradentate btec4- to form a 2D coordination grid. Reaction of tpt with CuCN leads to the assembly of a 3D metal-organic framework [Cu3(CN)3(tpt)]n (5). Copper(I) is trigonally coordinated by one pyridyl nitrogen and two cyanides to form an intriguing honeycomb architecture. Luminescence study shows that 1, 3, 4, and 5 have blue fluorescence, which can be assigned to be ligand-centered emissions. Thermal analysis shows that all of these complexes are quite stable, and especially for 4, the framework is stable up to 430 °C. [ABSTRACT FROM AUTHOR]

Two amino acid complexes, [Cd(L-glu)(H2O)]n · nH2O (1) and [Co(L-asp)(phen)(N3)] · 2H2O (2) (L-glu = L-glutamate, L-asp = L-aspartate, phen = 1,10-phenanthroline), have been synthesized and characterized by elemental analyses, IR spectra and TG-DSC analysis. Single crystal X-ray structure analyses revealed that each L-glutamate acts as a pentadentate ligand binding to three octahedral Cd(II) atoms through the amino group and two carboxyl groups to form a neutral helical network. Complex 2 is a mononuclear compound in which Co(III) is octahedrally coordinated by tridentate L-aspartate, monodentate azide and chelating phen ligand. Thermal stability and fluorescence of 1 have been investigated. The complex shows strong blue fluorescence in the solid state. [ABSTRACT FROM AUTHOR]

The article focuses on the growing interest in the synthesis and design of metal-organic coordination polymers. It discusses the intriguing molecular topologies and the structural diversity of metal-organic coordination polymers as well as their potential as a new class of solid-state materials. It also highlights the important role played by the judicious selection of bridging ligands in the construction of such materials.

Abstract: Hydrothermal reaction of CuCN, K3[Fe(CN)6] and 1,10-phenanthroline affords a novel cyanide-bridged copper(I) coordination polymer [Cu3(CN)3(phen)] n (1). The complex displays an interesting one-dimensional neutral double helical framework with (phen)Cu–CN– side-arms as interchain bridges. The double helical chains are close packed in a parallel fashion, and the phen ligands stack in an interpenetrating mode, which leads to π–π interactions between parallel phen planes. The thermal stability and fluorescent property have also been investigated. [Copyright &y& Elsevier]

Hydro­thermal reaction of Zn(NO3)2·6H2O with pyridine-2,5-dicarboxylic acid, 4,4′-bipyridine and pyridine in a 1:1:1:2 molar ratio affords the title complex, (C10H10N2)[Zn(C7H3NO4)2(H2O)2], in which both ions are centrosymmetric. The ZnII atom is octahedrally coordin­ated by two pyridine-2,5-dicarboxyl­ate chelating ligands and two water mol­ecules in a distorted octa­hedral geometry. 4,4′-Bipyridinium, acting as counter-ion, has hydrogen-bonding inter­actions with pyridine-2,5-dicarboxyl­ate, forming a three-dimensional structure. [ABSTRACT FROM AUTHOR]

The reaction of 3,5-diamino­benzoic acid, 1,10-phenanthroline, NaN3 and ZnII in basic aqueous solution gave rise to the title compound, [Zn(C7H7N2O2)(N3)(C12H8N2)(H2O)2]·H2O. The ZnII atom is six-coordinate with a distorted octa­hedral geometry. The two aqua ligands are in cis positions and the 3,5-diamino­benzoate ligand binds to the central Zn atom through one of its amino groups. [ABSTRACT FROM AUTHOR]

The VV ion in the title complex, [V(C15H12N2O4)(C3H7O)O], is in a distorted square-pyramidal environment. Two O atoms and one N atom from the tridentate hydrazidate ligand, and an O atom from the depronated solvent mol­ecule, define the basal plane, and the oxo O atom occupies the apical position. [ABSTRACT FROM AUTHOR]

Six novel Co(ii) coordination polymers, namely, [Co10L6(OH)2(H2O)9]·10.5H2O (1), [Co3L2(3-abpt)2]·4H2O (2), [Co3L2(4-azpy)2(H2O)2(EtOH)] (3), [Co3L2(4,4′-bipy)2(H2O)2(MeCN)] (4), [Co3L2(4,4′-bipy)2] (5), and [Co5L2(OH)2(ina)2(H2O)2] (6) (H3L = 2,2′-phosphinico-dibenzoic acid, 3-abpt = 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole, 4-azpy = 4,4′-azobispyridine, 4,4′-bipy = 4,4′-bipyridine, Hina = isonicotinic acid), have been hydrothermally synthesized and their magnetic properties have been characterized. The L3− anion displays six types of coordination modes in the compounds. Compound 1 exhibits a novel 1D ladder-like structure, which consists of non-centrosymmetric Co10 units. Compounds 2–4 comprise 2D networks assembled from Co3L2 chains and N-heterocyclic linkers. Compound 5 comprises a 3D framework built from six neighboring parallel Co3L2 ladders bridged by 4,4′-bipy linkers. Compound 6 features a 3D framework that exhibits pcu topology with the Schläfli symbol of (412·63) using a pentanuclear [Co5(OH)2]8+ cluster as the node. Variable-temperature magnetic susceptibility studies indicate that the six coordination polymers exhibit remarkable magnetic behavior such as spin-canted antiferromagnetism and spin glass, which were found to coexist in compound 6. [ABSTRACT FROM AUTHOR]

A series of ruthenium(ii) complexes [{RuCl(CO)(PMe3)3(–CH=CH–)}nX], 1a–1c (1a: n = 3, X = 3,3′′-dimethyl-2,2′:3′,2′′-terthiophene; 1b: n = 2, X = 2,2′-bithiophene; 1c: n = 2, X = 2,3-bis(3-methylthiophen-2-yl)benzothiophene) and [{Cp*(dppe)2Ru(–C≡C–)}3X], 1d (X = 3,3′′-dimethyl-2,2′:3′,2′′-terthiophene), were prepared and characterized by 1H, 13C and 31P NMR. Their redox, spectroscopic and bonding properties were studied with a range of spectro-electrochemical methods in combination with density functional theory calculations. The first two anodic steps observed for 1a and 1d are largely localized on the lateral frameworks of the molecular triangle, the direct conjugation between them being precluded due to the photostable open form of the dithienyl ethene moiety. The third anodic step is then mainly localized on the centerpiece of the triangular structure, affecting both bithiophene laterals. The experimental IR and UV-vis-NIR spectroelectrochemical data and, largely, also DFT calculations account for this explanation, being further supported by direct comparison with the anodic behavior of reference diruthenium complexes 1b and 1c. [ABSTRACT FROM AUTHOR]

In order to tune the Zn(II) coordinationpolymer architectures,three position isomers, 1,4- (pbtmb), 1,3- (mbtmb), and 1,2-bis(1,2,4-triazol-1-ylmethyl)benzene(obtmb), and flexible tetracarboxylate ligand, 5,5′-(1,4-phenylenebis(methylene))bis(oxy)diisophthalicacid (H4L1), were used to assemble compounds with different kindsof entangled networks, namely, {[Zn2(L1)(pbtmb)2]·4H2O}n(1), {[Zn2(L1)(mbtmb)2]·4H2O}n(2), and [Zn2(L1)(obtmb)2]n(3). Flexible bis(triazole) ligands present diverseconformations in these compounds. Compound 1shows a4-fold interpenetrating three-dimensional architecture with 4-connectedmog (moganite) topology. Compound 2displays a 2D + 2D→ 3D polycatenation network simplified as new 4-connected topologywith the Schlafli notation of {4,64;8}2{42,64}. Compound 3is a 2D polythreadingstructure, in which two layed networks interpenetrate in a (2D/2D)parallel fashion. The powder X-ray diffraction, thermal stabilities,and the photoluminescence of 1–3havealso been investigated. [ABSTRACT FROM AUTHOR]

Abstract: Two new three-dimensional (3D) coordination polymer [Cu2(tetrazolate)3(OH)] n (1) and [Cd2(tetrazolate)3Br] n (2) were synthesized and structurally characterized. By the topology analysis, the complicated architecture of 1 and 2 are all simplified to be the 6-connected pcu-type net. The variable-temperature magnetic susceptibilities (5–300K) of 1 shows antiferromagnetic interactions of copper(II) ions bridged tetrazolate ligands and/or hydroxide anion. [Copyright &y& Elsevier]

A novel organic ligand, 6-diphenylamine carbonyl 2-pyridine carboxylic acid (HDPAP), and the corresponding lanthanide complexes, tris(6-diphenylamine carbonyl 2-pyridine carboxylato) samarium (III) (Sm-DPAP) and tris(6-diphenylamine carbonyl 2-pyridine carboxylato) dysprosium (III) (Dy-DPAP) have been designed and synthesized. The crystal structures and photoluminescence of Sm-DPAP and Dy-DPAP have been studied. The results showed that the lanthanide complexes have electroneutral structures, and the solid samarium complex emits characteristic red fluorescence of Sm (III) ions at room temperature while the dysprosium complex emits the DPAP ligand phosphorescence. The lowest triplet level of DPAP ligand was calculated from the phosphorescence spectrum of Gd-DPAP in N,N-dimethyl formamide dilute solution determined at 77 K, and the energy transfer mechanisms in the lanthanide complexes were discussed. [Copyright &y& Elsevier]

Four new Ni(ii) coordination polymers, namely, [Ni(HL)(bpe)(H2O)2]n·nH2O (1), [Ni2(L)(bpe)(μ3-OH)(H2O)]n·3nH2O (2), [Ni(L)(bpe)(H2O)]n·[Ni0.5(bpe)0.5(H2O)2]n·nH2O (3) and [Ni(HL)(bpe)(H2O)]n·3nH2O (4) based on flexible ligands 5-(3-carboxybenzyloxy)-isophthalic acid (H3L) and 1,2-bis(4-pyridyl)ethane (bpe) have been successfully synthesized under different conditions. Compounds 1 and 4 present two-dimensional sql layer structures, while compound 2 exhibits a three-dimensional structure based on a tetranuclear Ni(ii) cluster with (3,8)-connected tfz-d topology, and compound 3 consists of a 2D sql anionic layer and 1D linear cationic chains, which are further entangled to give an interesting 2D + 1D → 3D poly-pseudorotaxane framework. To determine the relationship between these diverse structures and external synthetic influence factors, we systematically change the molar ratios of the reactants, solvent and pH and study their effects. Furthermore, the structural transformation from compound 4 to 3 has also been investigated. [ABSTRACT FROM AUTHOR]

[Display omitted] • Six 5,5′-(1,2-phenylenebis(methoxy))diisophthalate coordination polymers were prepared. • The tetracarboxylic acid displays seven types of coordination modes. • These complexes exhibit 2D networks and 3D porous MOFs. • Mn(II) complexes 1 and 2 have antiferromagnetic couplings. Mn(II)/Cd(II) nitrates react with 5,5′-(1,2-phenylenebis(methoxy))diisophthalic acid (H 4 L) and four dipyridyl-typed N -donor ligands to afford six coordination polymers, {[Mn 2 (L)(bpee) 2 ]·DMF} n (1), {[Mn 3 (H 2 L) 3 (bpmp)(H 2 O) 2 ]·2DMF·2H 2 O} n (2), {[(CH 3) 2 NH 2 ] 2 [Cd(L)]·2H 2 O} n (3), [Cd 2 (L)(H 2 O) 2 (DMF)] n (4), {[Cd(L) 0.5 (bpdb)]·DMF} n (5) and [Cd(H 2 L)(bpp)(H 2 O)] n (6) [bpee = 1,2-bis(4-pyridyl)ethylene, bpmp = 1,4-bis(4-pyridylmethyl)piperazine, bpdb = 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene, bpp = 1,3-bis(4-pyridyl)propane]. These complexes were characterized by elemental analyses, IR spectra, PXRD, thermogravimetry and X-ray structural analysis. H 4 L displays seven types of coordination modes in them. Four complexes are 3D coordination polymers, except 2D wave-like network of complex 3 and 1D double-chain polymer of complex 6. Cd(II) complexes 3 , 4 and 6 display strong blue luminescence. Complex 1 exhibits weak antiferromagnetic coupling in [Mn 2 (μ 2 -COO) 2 (COO) 2 ] dimer, while complex 2 shows antiferromagnetic coupling in [Mn 3 (μ 2 -COO) 6 ] trinuclear cluster. [ABSTRACT FROM AUTHOR]

Seven novel coordination polymers based on 2,2′-phosphinico-dibenzoic acid (H3L), namely, {[Zn3L2(H2O)4]·2H2O}n (1), [Zn3L2(4,4′-bipy)2]n (2), [Zn(HL)(2,2′-bipy)(H2O)]n (3), {[Cd9L6(H2O)8]·4H2O}n (4), [Cd8L4(OH)2(OAc)2(4,4′-bipy)]n (5), [Mn3L2(4,4′-bipy)(EtOH)(H2O)2]n (6), and [Mn(HL)(2,2′-bipy)(H2O)]n (7), were synthesized under hydro(solvo)thermal conditions. These compounds crystallize in the triclinic P1̅ space group for 1, 4, 5, and 6, the monoclinic space group C2/c for 2, and the monoclinic P21/c space group for 3 and 7. The L3- ligand displays versatile binding modes in 1-7. Compound 1 is a one-dimensional (1-D) chain coordination polymer with a three-dimensional (3-D) supramolecular framework. Compound 2 is a 3-D porous metal-organic framework (MOF) with two different 4,4′-bipyridine linkers. Compounds 3 and 7 show 1-D zigzag chain structures. Compound 4 exhibits a sophisticated 3-D MOF constructed from two types of Cd8 clusters and one Cd2 dimer, which is the first example exhibiting the coexistence of four coordination modes of L3- ligands and four geometries of Cd(II) ions in one network. Compound 5 displays a two-dimensional (2-D) network containing a ring-like Cd8 cluster. Compound 6 shows a 2-D layered network with 4,4′-bipyridine linker. Their luminescence and variable-temperature magnetic property were investigated, which indicated ligand-centered emission in 1-5 and weak antiferromagnetic coupling between Mn(II) ions in 6 and 7. [ABSTRACT FROM AUTHOR]

Four unique complexes with diverse coordination architectures were synthesized upon complexation of 5,5-(1,4-phenylenebis (methylene))bis (oxy)- diisophthalic acid (H 4 L) with zinc ions by using different solvent. namely, {[Zn(H 2 L) (bpp)]·DEF} n ( 1 ), {[Zn 2 (L) (bpp) 2 ]·4H 2 O} n ( 2 ), {[Zn 2 (L) (pdp) 2 ]·3H 2 O·DEF} n ( 3 ), {[Zn 2 (L) (pdp) 2 ].4H 2 O} n ( 4 ). Complexes 1 , 2 and 3 , 4 are obtained by varying solvents to control their structures. The size of solvent molecular plays an important role to control different structure of these compounds. Compound 1 is 2D waved framework with (4, 4) grid layer as sql topology. Compound 3 displays a (4,6)-connected 2-nodal net with a fsc topology. Compounds 2 and 4 are all three-dimensional network simplified as (4,4)-connected 2-nodal net with a bbf topology. The photochemical properties of compounds 1 – 4 were tested in the solid state at room temperature, owing to their strong luminescent emissions, complexes 1 – 4 are good candidates for photoactive materials. [ABSTRACT FROM AUTHOR]

The three novel, discrete palladium(II)-oxo clusters [CaPd12O8(PhAsO3)8]6− ( CaPd12), [SrPd12O6(OH)3(PhAsO3)6(OAc)3]4− ( SrPd12), and [BaPd15O10(PhAsO3)10]8− ( BaPd15) encapsulating alkaline earth metal ions were prepared and fully characterized by a multitude of solution and solid-state physicochemical techniques. We have discovered a structure-directing template effect induced by the respective size of the alkaline earth guest ion, which determines the detailed condensation arrangement of the peripheral PdII-oxo shell. The unprecedented SrPd12 with an open-shell type structure is of particular importance and reflects a successful strategy for deliberate design of new structural classes of polyoxo-noble-metalates. Furthermore, the unusual acetate-water ligand exchange phenomenon renders SrPd12 as a promising candidate for noble-metal-based catalysis. [ABSTRACT FROM AUTHOR]

Solvothermal syntheses afforded two new MOFs {[Zn2(L1)(btmbb)(H2O)4]·2H2O}n (1) and [Zn2(L1)(btmbb)2]n (2) [5,5′-(1,4-phenylenebis(methylene))bis(oxy)diisophthalic acid (H4L1), and 4,4′-bis((1H-1,2,4-triazol-1-yl)methyl)biphenyl (btmbb)]. Single crystal X-ray analyses reveal that compound 1 shows an example of a 2D non-interpenetrating network, while compound 2 is a 2D polythreading interpenetrating structure, in which two layered networks interpenetrate in a (2D/2D) parallel fashion. The different conformation of the flexible ligand might be the main factor resulting in these non-interpenetrated/interpenetrated structures. The powder X-ray diffraction, thermal stabilities, and the photoluminescence of 1–2 have also been investigated. [ABSTRACT FROM AUTHOR]

Highlights: [•] Three camphorate coordination polymers were prepared. [•] Complex 1 is a chiral 1D helical chain polymer and 2 exhibits a chiral 2D network. [•] Complex 3 is an achiral 2D polymer in which partial d-camphorate changes to l-camphorate. [•] Complexes 1 and 2 show violet luminescence, 3 exhibits an antiferromagnetic interaction. [ABSTRACT FROM AUTHOR]

The 90° and 60° bimetallic platinum complexeswith specialstructures are widely used in coordination-driven self-assembled metallosupramoleculararchitectures, and these complexes are the key components of triangular,rectangular, and polygonal metallacycle and metallocage supramolecules.Therefore, spectroscopic techniques and quantum chemistry calculationswere employed in this article to investigate the photophysical propertiesof these bimetallic platinum complexes. Compared with spectra forthe ligands, the absorption spectra of these Pt complexes are red-shifted,and the fluorescence spectra become wider and are also red-shifted.Moreover, the reasons for the low fluorescence quantum yields andshort fluorescence lifetimes of these compounds were investigatedusing quantum chemistry calculations. We demonstrate that the fluorescentstates of the bimetallic platinum complexes can be considered as localexcited states, and that they possess a ligand-centered π–π*transition feature. Meanwhile, the platinum metals act as perturbationfor these transitions, whereas the nonfluorescent states are classifiedas intramolecular charge-transfer states. Furthermore, a new fluorescencemodulation mechanism is developed to explain the different emissionprocesses of these complexes with different ligands. [ABSTRACT FROM AUTHOR]

A 2D tri-layer compound {[Co8(tbip)6(H2O)9(OH)4]·12(H2O)}n(1) (H2tbip = 5-tert-butyl isophthalic acid) consisting of novel heptacobaltate clusters and single cobalt centers bridged by tbip2−ligands has been hydrothermally synthesized. The complex represents a rare example of a homometallic coordination polymer built up from both heptanuclear metal clusters and single metal centers simultaneously. The magnetic investigation reveals that the complex exhibits the overall predominance of antiferromagnetic coupling between magnetic centers. [ABSTRACT FROM AUTHOR]

Abstract: Reactions of different metal salts with 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole (3-abpt) gave rise to five new complexes, namely [Cu4(CN)4(3-abpt)2] n (1), [CuBr(3-abpt)] n (2), [CuI(3-abpt)] n (3), [Cu3I3(3-abpt)] n (4) and [Cu(3-abpt)(SO4)(H2O)] n (5). Compounds 1, 3, 4 and 5 are all 2D structures. Compound 1 is a double-layered polymer with an uncommon 3-nodal 3-connected (103)(102.4)4 network, 3 shows a 2D square layered structure, 4 is also a double-layered polymer with 2-nodal 4-connected (3.4.5.62.7)2(3.42.52.7) network and 5 is a 2D structure which is ultimately stacked with an ABAB repeat pattern. Compound 2 is a 1D coordination polymer which exhibits a ladder-like network. The photoluminescence of 1–2 has also been investigated. The long emission lifetimes of 1–2 could be assigned to metal-to-ligand charge transfer triple excited states [MLCT]. [Copyright &y& Elsevier]

Three new coordination polymers, [Cu(butca)0.5(bipy)(H2O)]n · 2nH2O (1), [Zn(H2butca) (phen)(H2O)]n · nH2O (2), and [Cd(H2chhca)0.5(phen)(H2O)]n · 2nH2O (3) (H4butca =1,2,3,4-butanetetracarboxylic acid, H6chhca = 1,2,3,4,5,6-cyclohexanehexacarboxylic acid), were prepared and characterized by EA, IR, TG, and X-ray crystallography. Complex 1 is a 1-D double-chain coordination polymer in which tetradentate butca4- coordinates to four Cu(II) ions through four monodentate carboxylates. Complex 2 is a 1-D chain with tridentate H2butca2- coordinating to two Zn(II) ions through monodentate and chelating carboxylates. Complex 3 is a 1-D double-chain coordination polymer. H2chhca4- is octadentate coordinating to four Cd(II) ions through four chelating carboxylates. Hydrogen bonds and π-π stacking interactions play important roles in the formation of supramolecular architectures. The thermal stabilities of 1-3 show dehydrated coordination polymers are thermally stable in the range 260-400°C. [ABSTRACT FROM AUTHOR]

The hydrothermal/solvothermal reactions of metal(II) nitrate hydrates with organic ligands (p-benzenediacrylic acid = H2pbda, 1,10-phenanthroline = phen) generate three three-dimensional (3-D) coordination polymers with (3,4)-connected (4.8.10)(42.6.8 × 102) topology (1, {[Cd2(pbda)2(phen)2](H2O)}n), 2-fold interpenetrating CdSO4-type open framework (2, [Zn3(pbda)3(phen)2]n), and 3-fold interpenetrated sra net (3, [Pb(pbda)]n). The porous zinc open framework 2 has the typical type-I sorption curve with a H2 uptake of 31 cm3·g−1(STP) at 77 K, BET surface area of 65.84 m2·g−1, and meso-[Zn2(pbda)2] helical motifs. With strong luminescent emission at 504 nm, complex 2 may be suitable as an excellent candidate for solid-state photosensitive materials at room temperature. Three-dimensional {[Cd2(pbda)2(phen)2](H2O)}n (1), [Zn3(pbda)3(phen)2]n (2), and [Pb(pbda)]n (3) are reported (H2pbda = p-benzenediacrylic acid, phen = 1,10-phenanthroline). Topologies of three metal(II)-organic coordination polymers are investigated. Complex 2 has the typical type-I sorption curve with a H2 uptake of 31 cm3·g−1(STP) at 77 K and luminescent emission at 504 nm at room temperature. [ABSTRACT FROM AUTHOR]

Abstract: Two novel three-dimensional (3D) coordination polymers (1) and ·nH2O (2) (mtta=5-methyltetrazolate, trz=1,2,4-triazole) were synthesized and structurally characterized. Complex 1 shows a 3D porous metal–organic framework. By the topology analysis, the complicated architecture of 1 can be simplified to be the 4-connected diamond-type net. Compound 2 is a two-fold interpenetrating 3,5-connected 3D framework with new topology. [Copyright &y& Elsevier]

Abstract: Reactions of metal acetates with 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole (3-abpt) and co-ligands gave rise to four new complexes, namely [Zn2(3-abpt)(beta)(DMF) (H2O)2] n ·nH2O (1), [Zn(3-abpt)(ip)] n ·3nH2O (2), [Zn(3-abpt)(ip)(H2O)2] n ·2nH2O (3), and [Cu2(3-abpt)2(C6H5COO)4(H2O)2] n ·2nH2O (4) (ip=isophthalate, beta=1,2,4,5-benzenetetracarboxylate). Compound 1 is a 3D coordination polymer with uncommon 3,4-connected (62.8)2(62.82.102) network. Compounds 2–4 are all 1D coordination polymers, which exhibit diversity structures. Compound 2 is a tubular-like chain, 3 is a ring-like network, and 4 is a zigzag chain. Their thermal stabilities and the photoluminescence of 1 have also been investigated. [Copyright &y& Elsevier]

Two tetra-antimony(III)-bridged, sandwich-type 18-tungsto-2-arsenates(V), [(LSbIII)4(A-α-AsVW9O34)2]10- (L = Ph (1), OH (2)), were prepared and fully characterized in the solid state and in solution. Both polyanions are stable in aqueous physiological medium for at least 24 h (at concentrations &#8805=;2.5 × 10-6 M). Despite the presence of an isostructural tetra-antimony(III) motif in 1 and 2, distinctly different antibacterial activity was observed for both polyanions. The minimum inhibitory concentrations (MIC) of 1 (7.8-62.5 μg/mL) is lower than for any other organoantimony(III)-containing polyoxometalate reported to date. [ABSTRACT FROM AUTHOR]

Abstract: Reactions of 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole (3-abpt) with metal acetates gave rise to four new complexes [Cu(3-abpt)(ip)] n ·2nH2O (1), [Co(3-abpt)(ip)(H2O)2] n ·2nH2O (2), [Ni(3-abpt)(tp)(H2O)2] n (3) and [Cu(3-abpt)2(CH3COO)2(H2O)2] (4) (ip=isophthalate, tp=terephthalate), which were characterized by EA, IR and X-ray crystallography. Compound 1 consists of two kinds of ring-like chain which are interconnected to form an unusual two-dimensional layered motif. Compounds 2 and 3 are both 1D ring-like infinite chains. Compound 4 is a mononuclear complex. The thermal stabilities of coordination polymers 1–3 have been investigated. [Copyright &y& Elsevier]

Four cadmium complexes with flexible polycarboxylic acid ligands have been synthesized. The bidentate auxiliary ligands with different lengths and flexibility play an important role to affect their final structures. The luminescent sensing of compounds 1 and 4 toward nitrobenzene has also been investigated. • Four cadmium coordination polymers have been synthesized by using flexibly carboxylic ligand. • The auxiliary ligands play an important role to affect their final structures. • Compound 1 and 4 might be developed as a functional luminescent probe for detecting nitrobenzene. Reactions of cadmium ions with the flexible tetracarboxylic ligand, 5-(bis(4-carboxybenzyl)amino) isophthalic acid (H 4 L) gave rise to four complexes, namely {[(Me 2 NH 2) 2 Cd 3 (L) 2 ]∙10H 2 O)} n (1), {[Cd 2 (L)(pdp)(H 2 O) 2 ]∙2DMF·4H 2 O} n (pdp = 4-[(E)-4-Pyridinylazo]pyridine) (2), {[Cd 2 (L)(bpe)(H 2 O) 2 ]∙2DMF·4H 2 O} n (bpe = 1,2-bi(4-pyridyl)ethene) (3) and {[Cd 4 (L) 2 (bpmp) 3 ]∙2H 2 O} n (bpmp = N,Nʹ -bis-(4-pyridyl-methyl) piperazine) (4). Compound 1 features a three-dimensional anionic architecture constructed by triangular Cd 3 cluster and ligands, with rectangle channels encapsulating [Me 2 NH 2 ]+ cations. Compounds 2 and 3 present similar structures, exhibiting the 2D polythreading layer. Compound 4 possesses a 3D structure with 4,6-connected new topology. The powder X-ray diffraction, the thermal stabilities, and solid-state luminescence properties were studied for 1 – 4. Furthermore, the luminescent sensing of compounds 1 and 4 toward nitrobenzene has also been investigated. [ABSTRACT FROM AUTHOR]

Abstract: Employing N-benzoyl-salicylhydrazide (H3bzshz) and imidazole (Himdz) as mixed ligands, a novel linear trinuclear Ni(II) complex [Ni3(bzshz)2(Himdz)2(H2O)2]·2DMF (1) has been synthesized and characterized. The three nickel atoms in 1 arrange in a strictly linear structure. The complex exhibits a novel 3D hydrogen bonding framework through the intermolecular Oxb7;·O and Nxb7;·O hydrogen bonding interactions. The magnetic property of 1 has been investigated by variable temperature magnetic susceptibility measurement. [Copyright &y& Elsevier]

Abstract: Two new azide complexes, [Cd2(3-abpt)(N3)4] n (1) and [Cu(3-abpt)2(N3)2] (2) (3-abpt = 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole), have been prepared and structurally characterized. Complex 1 displays an interesting 2D polymeric structure with rarely reported 3,7-connected (32;4)(34;46;56;65) network in the Schafli notation. Complex 2 contains mononuclear pieces, and they are linked each other through weak Cu⋯N coordination bonds to form a 2D sheet with (4,4) topology. The thermal stability and fluorescent property of 1 have also been investigated. [Copyright &y& Elsevier]