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In this paper, bis-monodentate Schiff base ligand (2,4-Cl-ba)2bn and its 1D copper(I) coordination polymer [Cu2(μ-(2,4-Cl-ba)2bn)(μ-I2)]n are synthesized and characterized by the elemental analysis (CHN), FT-IR and 1H NMR spectroscopy. Their crystal structure is determined from the single crystal X-ray diffraction analysis. The thermal behavior of the complex is studied using thermogravimetry in order to evaluate its thermal stability and thermal decomposition pathway. The X-ray results show that the free Schiff base ligand (2,4-Cl-ba)2bn is centrosymmetric and coordinated to copper(I) ions via two iminic nitrogen atoms as a bis-monodentate bridging ligand. The coordination geometry around the copper ions is a distorted triangle formed by one nitrogen and two iodine atoms. The distance between the two symmetry-related copper atoms is very short: 2.4756(8) Å. [ABSTRACT FROM AUTHOR]

Cu catalyses electrochemical CO2 reduction to valuable multicarbon products but understanding the structure-function relationship has remained elusive due to the active Cu sites being heterogenized and under dynamic re-construction during electrolysis. We herein coordinate Cu with six phenyl-1H-1,2,3-triazole derivatives to form stable coordination polymer catalysts with homogenized, single-site Cu active sites. Electronic structure modelling, X-ray absorption spectroscopy, and ultraviolet–visible spectroscopy show a widely tuneable Cu electronics by modulating the highest occupied molecular orbital energy of ligands. Using CO diffuse reflectance Fourier transform infrared spectroscopy, in-situ Raman spectroscopy, and density functional theory calculations, we find that the binding strength of *CO intermediate is positively correlated to highest occupied molecular orbital energies of the ligands. As a result, we enable a tuning of C–C coupling efficiency—a parameter we define to evaluate the efficiency of C2 production—in a broad range of 0.26 to 0.86. This work establishes a molecular platform that allows for studying structure-function relationships in CO2 electrolysis and devises new catalyst design strategies appliable to other electrocatalysis. Understanding the structure-function relationship in Cu-catalyzed CO2 reduction is challenging due to dynamic active sites. This study introduces stable coordination polymer catalysts with homogenized, single-site Cu, enabling the study and tuning of C–C coupling efficiency in CO2 electroreduction. [ABSTRACT FROM AUTHOR]

Peculiar coordination compound Cu(Hbpt)(CH3CN)2PF6 (1) derived from 3,5-bis(4-pyridyl)-1H-1,2,4-triazole (Hbpt) is synthesized by the layer diffusion method and structurally characterized by single crystal and powder X-ray diffraction, elemental analysis, and infrared spectroscopy. Compound 1 exhibits a structure formed by cationic chains and anions with abundant supramolecular interactions. Solid-state photoluminescence experiments show that compound 1 exhibits relatively strong red emission with a peak around 656 nm, and the origin of the emission band may be ascribed to the metal-to-ligand charge transfer according to the calculation of the density of states. [ABSTRACT FROM AUTHOR]

There are numerous studies about on nanoparticle synthesis by reducing metal salts via bio-extracts. Organic@inorganic hybrid nanoflowers (hNFs), are synthesized with expensive molecules such as enzymes, DNA and proteins. There are few studies for synthesis of hybrid nanoflowers via bio-extracts. However, the use of algae extracts as an organic component and studies on potential applications are very few. For the first time, the algae extract obtained from the brown macroalgae Desmarestia menziesii was used as the organic component of hNFs. Effect of medium pH, and algal extract concentration on morphological characteristic of hNFs were evaluated. The dye degradation and antioxidant activities of hNFs synthesized under optimum conditions were determined. hNFs were not synthesized in the acidic conditions of the PBS buffer (pH 5), The synthesis of hNFs was realized with coordination of Cu+2 and algae extract (0.65, 1, and 1.65 mL) in PBS (pH 7.4 and 9). hNFs with ideal flower morphology (size: 16–19 µm) were obtained by using 1.65 mL of extract under pH 7.4 condition. The basic skeletons (C, O, P, Cu), presence of phosphate crystals (PO4−3) and cristalinity of hNFs were determined by EDX, FT-IR and XRD, respectively. Antioxidant activity of hNFs against DPPH were determined depending on concentration (IC50: 950 µg/ mL). The highest catalytic activities of hNFs against methylene blue and brilliant blue dyes were observed at the mediums of pH 7 (69.81%) and pH 5 (75.7%), respectively. Organic@inorganic hNFs were synthesized by using brown macroalgae D. menziesii depending on extract concentration and medium pH. According to our findings, these hNFs are suitable for using as catalyst and antioxidant agents. [ABSTRACT FROM AUTHOR]

A new Cu(II) complex with the monodentate ligand 2,6-dimethylpyrimidin-4-(1 H)-one, [CuCl(C6H8N2O)2H2O]Cl.3H2O, was synthesized and characterized by single crystal X-ray diffraction, elemental analysis, and IR spectroscopy along with detailed theoretical studies based on density functional theory (DFT) at the B3LYP-D3(BJ)/Def2-SVP method. In the structural arrangement of the title compound, the different chemical entities are connected to each other via O–H....O, O–H...Cl, and N–H...O hydrogen bonds to form a three-dimensional network as revealed by the Hirshfeld intramolecular and surface analysis. Infrared spectroscopy analysis confirms the presence of a peak at 2344 cm− 1 which is assigned to N = C stretching vibrations while those at 1670 and 1622 cm− 1 respectively correspond to the C = C asymmetric stretching vibrations. The in-silico investigation of the anti-fibrotic potential of the title compound was carried out molecular docking with the 4FUX and 4FV3 receptors alongside PIRF which is a standard show that the title compound performed better in terms of H-bond interaction as well as binding affinity. Furthermore, the presence of 3 conventional H-bond interactions in the 4FUX-Complex interaction compared to 1 for the 4FV3-PIRF makes it very obvious that the bioactivity of this complex for fibrosis is greater than that of PIRF within the limits of available data as contained in this study. [ABSTRACT FROM AUTHOR]

Two one-dimensional copper(II) coordination polymers with different dissymmetrical N,N′- bis(substituted)oxamide ligands were synthesized, namely {[Cu(dmaepox)(dabt)]pic·HO} (1) and {[Cu(dmapob)(dabt)]NO·0.6HO} (2), where Hdmaepox and Hdmapob stand for N-(2-carboxylatophenyl)- N′-[3-(methylamino)propyl]oxamidate and N-(2-carboxylatophenyl)- N′-[3-(dimethylamino)propyl]oxamidate, respectively, and dabt is 2'2′-diamino-4'4′-bithiazole. Polymer 1 was characterized by elemental analyses, IR and electronic spectra and single-crystal X-ray diffraction. The crystal structure reveals that polymer 1 consists of many binuclear copper(II) units bridged by cis-oxamide and carboxylate groups. The two copper(II) ions are located in square-planar and square-pyramidal coordination environments, respectively. The separations of the Cu(II) atoms bridged by oxamide and carboxylate groups are 5.2035(7) and 5.1196(7) Å, respectively. The crystal structure of polymer 2 has been reported in our previous paper. However, its relative properties were not studied. In order to compare the influence of different bridging ligands on the cytotoxicities and DNA-binding properties, the cytotoxicities and reactivities towards DNA of polymers 1 and 2 were investigated. The results suggest that the two polymers can interact with herring sperm DNA in the mode of intercalation with binding affinities following the order of 1 > 2, and this is consistent with their in vitro cytotoxicities. [ABSTRACT FROM AUTHOR]

From reaction mixture containing the same reagents, the two Cu(II) complexes, with dicyanamide (dca) bridges, [Cu(bpy)(dca)2]n (1) and [Cu(bpy)Cl(dca)]n·H2O (2) (bpy = 2,2′-bipyridine) were prepared. The complexes were characterized by elemental analysis, FTIR spectroscopy and X-ray single crystal techniques. In both complexes, the geometry of the Cu(II) atom is best described as a slightly distorted square pyramidal. A zigzag chain structure is formed in both structures by dca units serving as an end-to-end bridging ligand. In addition, studies on antibacterial activity of the compounds against Gram(+) (Staphylococcus aureus ATCC-6538) and Gram(–) (Escherichia coli ATTC-8739, Pseudomonas aeruginosa ATCC-27853 and Enterobacter aerogenes ATCC-13048) bacteria have been performed using disc-diffusion and microdilution broth techniques. Both complexes were found to be significantly more effective against Gram(–) bacteria E. Coli than against the other bacteria. [ABSTRACT FROM AUTHOR]

We report the synthesis and structural, spectroscopic and magnetic properties of new 1D coordination polymeric complex {[Cu(μ-l-Arg)2]SO4⋅1.5H2O}n (1) that contains asymmetric μ−O,O' carboxylic bridge linking distorted square-pyramidal [Cu(μ-l-Arg)2]2+ coordination units. In 1D, the syn−anti−μ2−η1:η1zigzag polymer conformation, the adjacent Cu(II) ions are distanced by 5.707 Å, and the subsequent Cu∙∙∙Cu proximity in 1D-coordination chain equals 6.978 Å. Detailed interpretation of IR and Raman spectra of l-arginine and 1 was performed. The principal components of the g tensor determined from EPR experiments (gx = 2.059, gy = 2.075, gz = 2.228) indicate nearly axial symmetry of Cu(II) coordination sphere and correspond to the unpaired electron occupying the dx2–y2 orbital. The single broad band at 16,200 cm–1, characteristic of d−d transition, is assigned to the dominant dublet-dublet 2B1g(dx2–y2)→ 2Eg(dyz≈dxz) transition. Magnetic susceptibility measurements have revealed ferromagnetic coupling between the Cu(II) ions within the 1D-coordination chain, while the intermolecular coupling is antiferromagnetic. [ABSTRACT FROM AUTHOR]

The complexation reactions of phosphocholine and pyrimidine nucleosides as well as nucleotides with copper(II) ions were studied in the water system. Using potentiometric methods and computer calculations, the stability constants of the species were determined. Using spectroscopic methods such as UV-vis, EPR, 13C NMR, 31P NMR, FT–IR and CD, the coordination mode was established for complexes created in pH range 2.5–11.0. These studies will lead to a better understanding the role of copper(II) ions in living organisms and explain the interactions between them and the studied bioligands. The differences and similarities between nucleosides and nucleotides in the studied systems were also described, which testify to the significant influence of phosphate groups on the processes of metal ion complexation and interactions between ligands. [ABSTRACT FROM AUTHOR]

The inhibition potential of two new 1D coordination polymers (CP), CuL2(NO3)2 (C1) and ZnL2(BF4)2 (C2), and their cryptate-bis(1H-1,2,4-triazole)-based ligand (L1) against the corrosion of mild steel (MS) in molar hydrochloric acid medium was evaluated by employing the weight loss (WL), potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS) techniques. In addition, scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM–EDS) was used to assess the surface of the steel before and after corrosion. UV–visible spectroscopy was used to examine the gravimetric solution, and to fully understand the inhibitory effect, we employed quantum chemical descriptors and Monte Carlo simulation. Based on the outcomes of the electrochemical and computational research, combined with characterization of the metal surface morphology, both metal complexes were found to be highly effective compared to the parent ligand. The findings of the EIS measurements showed that at 308 K, complexes C1 and C2 retained their inhibitory efficiency at levels over 92.3%. Furthermore, these compounds are of the mixed type, and their adsorption on the MS face was found to follow the Langmuir adsorption isotherm with the free energies of adsorption of − 42.3 and − 46.2 kJ mol−1, respectively. The experimental findings were reinforced by quantum computations and computer simulation. [ABSTRACT FROM AUTHOR]

A new coordination polymer of coper (II), [tetra-azido)tris(2-pyridyl)amine)dicopper(II)] (1) has been synthesized by the reaction between copper(II) nitrate hexahydrate, sodium azide and tris(2-pyridyl)amine under solvothermal conditions in aqueous methanol. The structure has been characterized by single-crystal X-ray diffraction. An analysis of Hirschfeld surfaces was examined. Single-crystal results reveals that the structure contains two independent copper(II) centers, both having approximately square pyramidal coordination: in one, two of the basal sites are occupied by bidentate tris-(2-pyridyl)amine and two azido ligands, with a third azido ligand at the apical site, while the other center is coordinated only by azido ligands. All azido ligands bind two copper centers, forming a coordination polymer chain with two types of Cu2N2 rings and one type of Cu4N4 ring, and in which all azido ligands form a bridge between two metal centers in mode µ-1,1. The Hirshfeld analysis revealed an azido··· (pyridyl) interaction in the coordination polymer chain, as well as weak C-H···N interactions, one of which links the chains into sheets. A new dinuclear copper (II) polymer [tetra-azido(tris(2-pyridyl)amine)dicopper(II)] (1) has been synthesized under solvothermal conditions and been characterized by single-crystal X-ray diffraction and Hirshfeld surface analysis. [ABSTRACT FROM AUTHOR]

In the present study, via using the mixed ligand synthesis approach, two coordination polymers (CPs) based on Cu(II) and Co(II) ions as nodes, namely, [Cu3(L1)2(1,2,4-BTC)2(H2O)4]n (1) and [Co3(L2)(1,2,4-BTC)2(H2O)4]n (2) (L1 is 3,6-bis(imidazol-1-yl)pyridazine, L2 is 3,6-bis(benzimidazol-1-yl)pyridazine and 1,2,4-H3BTC is benzene-1,2,4-tricarboxylic acid), were synthesized by reaction of the 1,2,4-H3BTC ligand and relevant metal salts with the aid of various nitrogen-donor co-ligands. Their application values on the cerebral ischemia were evaluated and the specific mechanism was studied simultaneously. At first, the enzyme linked immunosorbent assay (ELISA) was carried out to assess the inflammatory cytokines content released into cerebrospinal fluid. Besides, the neuro-apoptosis induced by cerebral ischemia was tested through the Annexin V-FITC Apoptosis Detection Kit. [ABSTRACT FROM AUTHOR]

Presented here is the synthesis and property study of a novel Cu(I) compound, namely, [Cu4(2-S-Bim)7(SO4)]n·n(SO4)·n(CH3CN)·2n(H2O) (1, 2-S-Bim=2-mercaptobenzimidazole). In this compound, 2-S-Bim ligand exhibits two different coordination modes: μ2-bridging mode and terminal coordination mode. Six 2-S-Bim ligands in μ2-bridging mode combined four Cu(I) ions together, affording a [Cu4S6] cluster. The remaining two coordination sites of Cu(I) ions in the [Cu4S6] cluster are occupied by one terminal 2-S-Bim ligand and one terminal SO42− anion, thus compound 1 exhibits a 0D isolated cluster-based framework. Moreover, this compound emits intense blue luminescence at room temperature. In addition, the as-produced compound's application values against ischemia–reperfusion flaps were examined and the specific mechanism was tested simultaneously. [ABSTRACT FROM AUTHOR]

Electroreduction of carbon dioxide with renewable electricity holds promise for achieving net-zero carbon emissions. Single-site catalysts have been reported to catalyze carbon-carbon (C-C) coupling—the indispensable step for more valuable multi-carbon (C2+) products—but were proven to be transformed in situ to metallic agglomerations under working conditions. Here, we report a stable single-site copper coordination polymer (Cu(OH)BTA) with periodic neighboring coppers and it exhibits 1.5 times increase of C2H4 selectivity compared to its metallic counterpart at 500 mA cm−2. In-situ/operando X-ray absorption, Raman, and infrared spectroscopies reveal that the catalyst remains structurally stable and does not undergo a dynamic transformation during reaction. Electrochemical and kinetic isotope effect analyses together with computational calculations show that neighboring Cu in the polymer provides suitably-distanced dual sites that enable the energetically favorable formation of an *OCCHO intermediate post a rate-determining step of CO hydrogenation. Accommodation of this intermediate imposes little changes of conformational energy to the catalyst structure during the C-C coupling. We stably operate full-device CO2 electrolysis at an industry-relevant current of one ampere for 67 h in a membrane electrode assembly. The coordination polymers provide a perspective on designing molecularly stable, single-site catalysts for electrochemical CO2 conversion. Typically, Cu catalysts agglomerate under electrochemical conditions. Here, the authors report a coordination polymer catalyst with neighboring Cu sites which remain isolated and reduce CO2 to C2H4 with high selectivity and stability [ABSTRACT FROM AUTHOR]

The reaction of CuI with dialkylcyanamides yielded copper(I) cluster complexes [Cu4I4(NCNR2)4] (R2 = Me2, Et2, C4H8, C5H10, C4H8O), as well as coordination polymer catena-[CuI(NCNMe2)]n. The structures of the obtained compounds were determined by single-crystal X-ray diffraction analysis, atomic emission spectroscopy (Cu), CHN elemental analysis, X-ray phase analysis, and IR spectroscopy. The prepared clusters luminesce at room temperature in the solid state with an emission maximum in the range of 554–600 nm upon irradiation at 365 nm. [ABSTRACT FROM AUTHOR]

Chain coordination polymer [Cu(bpy)3][{Cu(bpy)}2Re4Se4(CN)12]·3.5H2O (1) is obtained by the reaction of K4[Re4Se4(CN)12]·6H2O with CuCN and 2,2′-bipyridilne (bpy) under hydrothermal synthesis conditions. The compound crystallizes in the orthorhombic system, space group Fdd2, with unit cell parameters a = 67.102(4) Å, b = 38.374(2) Å, c = 11.3329(5) Å, V = 29182(3) Å3, Z = 16, dcalc = 2.192 g/cm3. The crystal structure is composed of [{Cu(bpy)}2Re4Se4(CN)12]2– anionic polymer chains and [Cu(bpy)3]2+ complex cations located in cavities. The prepared compound is characterized by single crystal XRD, IR, and elemental analysis. [ABSTRACT FROM AUTHOR]

A new coordination polymer, {[Na 2Cu(Ac) 4(H 2O)]·H 2O} n (HAc = acetic acid), has been synthesized and structurally characterized by IR spectroscopy and X-ray crystallography. The compound crystallizes in the orthorhombic system, space group Pccn with a = 16.9076(17) Å, b = 11.8375(12) Å, c = 15.7567(16) Å, V = 3153.6(6) Å 3. Four oxygen atoms from different Ac − groups coordinate to the copper atom in a square-planar arrangement. Each sodium ion is in a distorted octahedral environment, being coordinated by one aqua ligand and five acetate oxygen atoms from two adjacent [Cu(Ac) 4] units. An alternating arrangement of metal ions and bridging acetate ligands results in the formation of two-dimensional sheets which are further linked into a three-dimensional network by the water molecules between the layers through rich hydrogen bonds. Graphical Abstract: The title compound {[Na 2Cu(Ac) 4(H 2O)]·H 2O} n (HAc = acetic acid) was synthesized and structurally characterized by X-ray crystallography. Four oxygen atoms from different Ac– groups coordinate to the copper atom in a square-planar arrangement. Each sodium ion is in a distorted octahedral environment, being coordinated by one aqua ligand and five acetate oxygen atoms from two adjacent [Cu(Ac) 4] units. An alternating arrangement of metal ions and bridging acetate ligands results in the formation of two-dimensional sheets which are further linked into a three-dimensional network by the water molecules between the layers through rich hydrogen bonds.[Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]

Two metal organic frameworks involving α, ω-dicarboxylates and 2,2′-bpy, [Cu(2,2Bpy)(μ-adipate-H2)] n·2·H 2O 1 and [Cu 2 (2,2′-bpy) 2(μ-adipate-H) 2(μ-adipate-H2)]·3H 2O 2 have been synthesized by one pot reaction and structurally characterized. Pentacoordinated Cu(II) zigzag polymeric chain of 1 is composed of linking the adjacent Cu(2,2′-bpy)(H 2O) units through terminal craboxylate oxygens of two different adipate dianion in cis coordination pattern with the metal center. Both the Complexes were crystallized in triclinic system, P-1 space group with cell parameters a = 6.8948(5), b = 10.7098(7), c = 12.4332(8) Å; α = 82.1120(10), β = 80.4950(10), γ = 72.9560(10)°, V = 861.87(10) Å 3 for 1, a = 9.5058(6), b = 9.9341(7), c = 12.6460(8) Å; α = 70.5080(10), β = 73.5740(10), γ = 75.0720(10)°, V = 1062.05(12) Å 3 for 2 respectively. Extensive hydrogen bonding interaction is observed between the lattice water molecules and the coordination network. Compound 2 is a layered architecture, where the neutral framework is constructed by two different adipate anions (in monoanionic and dianionic form) coordinating to the metal center. Interestingly, three water molecules present in the lattice of compound 2 are involved in hydrogen bonding network among themselves, creating a centro-symmetric hexameric water cluster composed of a tetracyclic ring with dangling water molecules attached at alternate positions of the rectangle, which interact with the carboxylate oxygen, thereby extending the hydrogen bonded water network. Graphical Abstract: Two ternary Cu(II) metal-organic coordination networks involving N-donor ligand and adipic acid have been synthesized by one pot reaction . Single crystal investigation revealed that 1 is a zigzag and 2 is a layered network with Cu(II) possessing a distorted square pyramidal geometry . In both the complexes, intricate hydrogen bonding interaction exists between the lattice water molecules with the coordination framework. However, in complex 2, a new topology of hexameric water cluster residing between the adjacent layers of the coordination polymeric network involving hydrogen bonding interactions with the carboxylate oxygens has been observed.[Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]

Porous framework coordination polymer (enH)(enH2)[{Cu2(μ-CN)}Re6S8(CN)6] (1) is obtained by a reaction of Cs2.67K1.33[Re6S8(CN)2(OH)4]·4H2O, CuCN, and ethylenediamine (en) under hydrothermal conditions at 150 °С. The compound crystallizes in the cubic crystal system, space group , unit cell parameters a = 16.5097(2) Å, V = 4500.05(9) Å3, Z = 4, dcal = 2.664 g/cm3. The crystal structure is composed of the [{Cu2(μ-CN)}Re6S8(CN)6]3– anionic framework and protonated en molecules located in cavities. The compound obtained is characterized by X-ray crystallography, IR spectroscopy, and the elemental analysis. [ABSTRACT FROM AUTHOR]

Two new coordination polymers, namely, [Cu2(L)2(4,4′-bpy)]n (1) and [Cd(HL)Cl(1,10′-phen)]n (2) (H2L = 1H-pyrazole-3-carboxylic acid, 4,4′-bpy = 4,4′-bipyridine, 1,10′-phen = 1,10-phenanthroline) have been synthesized via solvothermal method and were structurally characterized by single-crystal X-ray diffraction, FT-IR, elemental analysis and PXRD. The two complexes are both infinite 1D chain structures, in complex 1 the H2L ligands are completely deprotonated and chelating the metal centers, and 4,4′-bipyridine link adjacent metal units to form a 1D chain structure. While, in complex 2, the auxiliary ligands chelating the metal center and H2L ligands play a role in chelating-bridging the metal centers to help build an infinite 1D chain structure. What's more, the two complexes further extended to 3D supramolecular networks by hydrogen bonds and weak C–H⋯π interactions. The weak intermolecular interactions existed in the complexes structures were further studied by Hirshfeld surface analysis and 2D fingerprint plots. In addition, these two transition metal complexes exhibit high intense electrochemiluminescence (ECL) in N,N-dimethylformamide (DMF) and after ten circulations the ECL intensity still remains stable, which can be a useful guide for the construct of new polymers ECL materials. [ABSTRACT FROM AUTHOR]

Chain coordination polymer [Cu(NH3)2]2[{Cu(NH3)}2{Cu(NH3)(OH)}Re6Se8(CN)6] (1) is obtained by a reaction of Cs2.75K1.25[Re6Se8(CN)4(OH)2]·H2O with CuCN in the concentrated aqueous ammonia solution under hydrothermal conditions. The compound crystallizes in the hexagonal crystal system with the P63/m space group and unit cell parameters a = 9.9902(2) Å, b = 9.9902(2) Å, c = 19.4469(7) Å, γ = 120.00°, V = 1680.85(8) Å3, Z = 2, dcalc= 4.661 g/cm3. The crystal structure is composed of anionic polymer chains [{Cu(NH3)}2{Cu(NH3)(OH)}Re6Se8(CN)6]2– and complex [Cu(NH3)2]+ cations located in cavities. The obtained compound is characterized by single crystal X-ray diffraction, IR spectroscopy, and the elemental analysis. [ABSTRACT FROM AUTHOR]

In the present study, we report the synthesis, characterization, molecular docking and theoretical studies of two new copper(II) [Cu2(L1)2(py)2]·H2O (1) and nickel(II) [Ni(L2)2] (2) coordination complexes, which are made through the coordination of (E)-N′-(5-bromo-2-hydroxybenzylidene) benzohydrazide (H2L1) and 1-((E)-(2-methoxyphenylimino) methyl) naphthalene-2-ol (HL2), respectively. The H2L1 and HL2 acts as deprotonated tridentate hydrazide and Schiff base ligands containing phenyl and naphthalyl groups, respectively. The molecular structure of (1) and (2) have been confirmed by single crystal X-ray diffraction studies and belongs to the monoclinic and triclinic system of the space group C2/c and P-1, respectively. The X-ray structural determination showed that the structure around Cu(II) was phenoxo-bridged distorted square pyramidal geometry for (1), while complex (2) display octahedral geometry around Ni(II). Binding affinity of (1) and (2) with the DNA generated from molecular docking was − 8.2 and − 9.2 kcal/mol, respectively, while H-pylori urease with binding affinity of − 9.3 and − 12.8 kcal/mol, respectively as predicted with Auto Dock Vina using DFT. The absorption and vibrational analysis of (1) and (2) have been carried out by the long-range corrected density functional theory (LC-DFT). The natural bonding orbital (NBO) analysis has been used to get insight into non-covalent interactions. From LC-DFT calculations, various parameters such as natural population analysis, atomic charges, and HOMO–LUMO energies have been obtained. [ABSTRACT FROM AUTHOR]

4,4′-(Triaz-1-ene-1,3-diyl)dipyridine (L) and the first transition metal complex with it are synthesized. It is found that the solid phase of isolated solvate [Cu(hfac)2L]·0.5MePh, where hfac is hexafluoroacetylacetonate, consists of polymer chains inside which L acts as a bridge, linking together Cu(hfac)2 moieties by N atoms of pyridine rings. The chains, in turn, are arranged into layers by H bonds. The result shows that L can be a bridging ligand in the synthesis of new coordination polymers. [ABSTRACT FROM AUTHOR]

[Cu(NH2CH2CH2NEt2){B6O7(OH)6}]·5H2O (1) and [Cu(NH3)2{B6O7(OH)6}]·2H2O (2) have been obtained as crystalline materials from aqueous solutions of Dynamic Combinatorial Libraries (DCLs) originating from B(OH)3 and appropriate Cu(II) amine complexes. These two Cu/O/B clusters are formed through self-assembly processes and contain tridentate hexaborate(2−)-κ3O ligands. Both compounds have been characterized by TGA/DSC, magnetic susceptibility measurements, IR spectroscopy, and single-crystal XRD studies. The intermolecular H-bond interactions between neighbouring hexaborate units are implicated in their templated synthesis. Compound 2 is a coordination polymer and stabilization is also gained through formation of an additional O–Cu coordinate bond. Steric congestion in 1 blocks formation of this bond resulting in insular complexes. [ABSTRACT FROM AUTHOR]

Abstract: By utilizing the flexible quadritopic ligand, tetrakis(3-pyridyloxymethyl)methane (L), two novel coordination polymers have been synthesized and structurally characterized. {[Cu3(L)2(acetate)6]·10(H2O)}n has a 1D chain crystal structure with a SP 2-periodic net with the Schläfli symbol {36·46·53} modeled by acetate ions. In {[Cu2(L)(benzoate)4]·2(CH3OH)·H2O}n, we substituted the acetate with benzoate and obtained 2D crystal structure with an novel 2, 3, 4 net with the Schläfli symbol {4·82}2{42·82·102}{8}. The structural results show that utilizing a flexible ligand is a good approach to achieve diversity in coordination polymer structures and could be easily affected by the carboxylate anions.Graphical Abstract: Two novel coordination polymers assembled from the tetrakis(3-pyridyloxymethylene) methane(L) with copper(II) ions and different carboxylate. Crystal structures and topological analyses of these compounds are presented. [ABSTRACT FROM AUTHOR]

Green crystals of the coordination polymer (CP) [CdN3(en)(n)], 1, was obtained by reaction of CdSO4 · 5H2O with ethyl nicotinate (en) in the presence of NaN3. The structure of the CP 1 was characterized by elemental analysis, IR, 1H-NMR, UV-Visible and X-ray single crystal analysis. The ORTEP plot of CP 1 consists of [(Cd)4(N3)4(en)4(n)4] structure exhibiting 14-atom V-shaped cyclic configuration, which contains 8-atoms ring [(Cd)4(N3)4]. The structure of CP 1 creates 1D-chain where the cyclic structures are connected by two nicotinate ligands (n). The chains are extended in three directions forming 3D-network structure via extensive H-bonds. The CP 1 was tested as corrosion inhibitor for copper in 1 M HCl solution using potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techniques. The results of polarization indicated that CP 1 acts as mixed type inhibitor. Adsorption of CP 1 obeyed Langmuir adsorption isotherm. Effect of temperature on the corrosion process was studied and activation parameters were calculated and discussed. The results obtained from the two different electrochemical techniques are in good agreement. [ABSTRACT FROM AUTHOR]

A new Cu(II) based metal-organic framework (MOF) having formula [Cu3(H2Tar)(Tar)-(H2O)(Bpa)] · 3H2O (I) (H4Tar = tartaric acid, Bpa = 1,2-bis(4-pyridyl)ethane) has been characterized by elemental analysis, FT-IR spectra, thermal analysis, and single-crystal X-ray diffraction (CIF file CCDC no. 1575136). In I, the Cu(II) center are connected by four symmetry-related tartrate ligands into a 2D layer encapsulating trinuclear cluster, which are further bridged by Bpa molecules into a 3D framework. Complex I exhibits strong ferromagnetic behavior between metal centers. [ABSTRACT FROM AUTHOR]

This mini-review surveys 23 structures of 3D coordination polymers built upon mono-, di- as well as cyclic and acylic polythioethers. An emphasis is put on the Secondary Building Units (SBU) and the physical properties. Importantly, the key feature is that the dominant SBU is not the rhomboid (CuXS), but an inorganic polymer containing at least the chain of the type (CuX). In the latter type of SBU, these chain formations are observed for X = I, but predominantly for X = CN. In addition, a large portion of the surveyed materials exhibit rich photophysical properties, but on several occasions, these materials exhibit properties often attributed to MOFs, mainly solvent exchange. [ABSTRACT FROM AUTHOR]

More than 50 of layered (i.e., 2D) coordination polymers containing (CuX) clusters (X = Cl, Br, I; n = 2, 4, 5, 6, and 8) as secondary building units (SBUs) and mono- and dithioether as assembling ligands are described. This mini-review is separated into two categories; mono- (10) and dithioether (45 polymers), devoted on 2D networks. Within these 55 2D structures visited, the occurrence of the SBU motifs (CuX) where n = 2, 4, 5, 6, and 8 are dominated by the rhomboids (CuXS; 30) and the closed and open cubanes (CuIS; 16). Only 10 different other SBU motifs are found in these 2D materials (note that one polymer shares two different motifs). Some emission properties are also provided. Generally, closed cubane cluster-containing coordination polymers exhibit more intense emissions than the rhomboid dimers, which are very weakly or non-emissive. Graphical abstract: [Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]

Two double-chain chiral coordination polymers [Cu(bpy)(phlac)](NO)·HO ( 1) and [Cu(bpy)(clman)](NO)·HO ( 2) were obtained by heating a DMF/HO solution of copper(II) nitrate, 4,4′-bipyridyl (bpy), S-3-phenyllactic (Hphlac) or R-3-chloromandelic (Hclman) acid. The compounds were structurally characterized by X-ray crystallography. [ABSTRACT FROM AUTHOR]

A review of the structures and reactivity of tris(triazolyl)borate (Ttz) ligands and closely related triazole-based ligands is presented, with an emphasis on complexes of the transition metals. Ttz ligands can form mononuclear complexes or coordination polymers of various dimensionalities. The extra nitrogens in Ttz ligands (relative to trispyrazolylborate, Tp, ligands) can bind to additional metals or acidic hydrogens, and through the latter interactions water solubility is improved. Ttz ligands are also weaker donors than Tp ligands, and this often leads to an increased coordination number in metal complexes. An in-depth discussion of recently developed bulky Ttz ligands and their use in forming biomimetic structures and catalyzing reactions is included. [ABSTRACT FROM AUTHOR]

We demonstrate a controllable surface-coordinated linear polymerization of long-chain poly(phenylacetylenyl)s that are self-organized into a "circuit-board" pattern on a Cu(100) surface. Scanning tunneling microscopy/spectroscopy (STM/S) corroborated by ab initio calculations, reveals the atomistic details of the molecular structure, and provides a clear signature of electronic and vibrational properties of the poly(phenylacetylene)s chains. Notably, the polymerization reaction is confined epitaxially to the copper lattice, despite a large strain along the polymerized chain that subsequently renders it metallic. Polymerization and depolymerization reactions can be controlled locally at the nanoscale by using a charged metal tip. This control demonstrates the possibility of precisely accessing and controlling conjugated chain-growth polymerization at low temperature. This finding may lead to the bottom-up design and realization of sophisticated architectures for molecular nano-devices. [ABSTRACT FROM AUTHOR]

Two metal-organic coordination polymers [Cu(bpy)(HO)](NO)·4.5CHOH (1) and [Cu(bpy)(HO)( L-pha) ](NO)·HO (2) ( L-Hpha = L-phenylalanine, bpy = 4,4′-bipyridyl) are prepared by slow evaporation of an aqueous alcoholic solution of copper nitrate, L-phenylalanine, and 4,4′-bipyridyl. The structure and composition of the obtained compounds are determined by single crystal XRD. The framework of compound 1 is positively charged and forms two types of intersecting channels. Compound 2 is a homochiral metal-organic coordination polymer whose structure contains L-phenylalanine anions. [ABSTRACT FROM AUTHOR]

novel mixed-valence Cu/Cu coordination polymer [Cu(μ-Cl)Cu(μ-S)(Phen)] ( I) (Phen = 1,10-phenanthroline) has been hydrothermally synthesized and structurally characterized by elemental analyses and single-crystal X-ray diffraction. Single-crystal X-ray diffraction analysis reveals that a unique one-dimensional infinite chain-like structure is constructed by two unusual zigzag chains of [CuCl] and [CuS]. Both of the zigzag chains are used as the second building units (SBU) to produce a 2D helix-like layer at the aid of the C-H...Cl hydrogen bonding interactions between Phen groups and [CuCl] chains. An interesting three-dimensional network is formed with the supramolecular van der Waals contacting among the 2D layers. Finally, the magnetic properties of the title compound have been investigated in the temperature range 2-300 K. [ABSTRACT FROM AUTHOR]

Two copper coordination polymers [Cu(bipy)Cl]( 1) and {[(Cu)(phen)(SSA)Cl] (HO)(DMF)}( 2)(bipy = 4,4′-bipyridine, phen = 1,10-phenanthroline, HSSA = 5-sulfosalicylic acid, DMF = N,N-dimethylformamide) have been prepared and characterized by X -ray diffraction, elemental analysis, IR spectrum and 2 was also studied by cyclic voltammetric method. X-ray analysis indicates that both of them have CuCl bridging subunit. Complex 1 is a two dimensional network structure. While 2 shows a one dimensional zigzag chain. Electrochemistry studies reveal that complex 2 undergo a quasi reversible one-electron metal-centered redox process at E = +0.062 V. Index abstract: [Two copper coordination polymers [Cu(bipy)Cl]( 1) and {[(Cu)(phen)(SSA)Cl] (HO)(DMF)}( 2) (bipy = 4,4′-bipyridine, phen = 1,10-phenanthroline, HSSA = 5-sulfo salicylic acid, DMF = N,N-dimethylformamide) have been prepared and characterized. Both of them have CuCl bridging subunit. Compound 2 undergo a quasi reversible one-electron metal-centered redox process at E = +0.062 V.][Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]

The coordination polymer [Cu(ppca′) 2(H 2O)(HgI 2)](H 2O) ( 1) was synthesized hydrothermally using the ligand 3,4′-bipyridine-6-carboxylic acid (ppca′). Structure 1 consists of square pyramidal copper (II) units linked by mercury (II) iodide into one-dimensional zigzag chains, which hydrogen bond into double chains. These ladders are further hydrogen bonded into a three-dimensional network that crystallizes in the monoclinic C2/c space group. In structure 1, a = 16.9058(10) Å, b = 11.2645(6) Å, c = 27.2707(15) Å, and β = 92.754(1)°. Graphical Abstract: The coordination polymer [Cu(ppca′) 2(H 2O)(HgI 2)](H 2O) ( 1) was synthesized hydrothermally using the ligand 3,4′-bipyridine-6-carboxylic acid (ppca′). The coordination sphere about the copper (II) and mercury (II) ions in the coordination polymer [Cu(ppca′) 2(H 2O)(HgI 2)](H 2O) ( 1). Displacement ellipsoids are drawn at the 50% probability level. [InlineMediaObject not available: see fulltext.]  = mercury (II), [InlineMediaObject not available: see fulltext.]  = copper (II), [InlineMediaObject not available: see fulltext.]  = iodide, [InlineMediaObject not available: see fulltext.]  = oxygen, [InlineMediaObject not available: see fulltext.]  = nitrogen, [InlineMediaObject not available: see fulltext.]  = carbon, and [InlineMediaObject not available: see fulltext.]  = hydrogen (where not hidden).[Figure not available: see fulltext.]. [ABSTRACT FROM AUTHOR]

CuI reacts instantaneously with butanedithiol in MeCN solution to form a sparingly soluble and thermally stable colorless polymeric material 1 of composition [(CuI){HS(CH)SH}]. Raman and IR spectroscopy confirm the presence of Cu(I) bound S–H functions. Furthermore, small amounts of the yellow compound [{Cu(μ-I)Cu}(CHS)] 2 co-crystallize after several days. If the reaction mixture is exposed to air, polymeric 2 is isolated as the main product. An X-ray diffraction study reveals that 1D polymer 2 is assembled by rhomboid Cu(μ-I)Cu clusters ( d Cu···Cu 2.6843(18) Å), which are linked through the S-atoms of six-membered 1,2-dithian heterocycles, thus generating an infinite ribbon. The low-frequency region in the Raman spectra show a striking similarity suggesting that polymers 1 and 2 bear the same cluster rhomboid Cu(μ-I)Cu clusters. The photophysics and luminescence properties of 2 have been studied experimentally and by means of DFT/TDDFT calculations. Graphical Abstract: CuI reacts with HS(CH)SH to form a polymer of composition [(CuI){HS(CH)SH}] which slowly oxidizes to the luminescent [{Cu(μ-I)Cu}(CHS)] polymer. The latter exhibits a 1D chain assembled by rhomboid Cu(μ-I)Cu clusters linked through the S-atoms of six-membered 1,2-dithian heterocycles. The luminescence properties of this polymer have been studied experimentally and by means of DFT/TDDFT calculations.[Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]

We have established that crystalline nickel-containing metal–organic frameworks (MOFs) bind the complex [Cu(NH3)4](ClO4)2 from acetonitrile solutions and do not react with [Cu(en)2](ClO4)2. The MOF/copper ammine complex ratio in the products after reaching saturation is determined by the crystal lattice structures of the compounds, and increases from 1.2 (one-dimensional coordination polymer, 1D CP) to 3.2 (2D CP)and 3.9 (ionic MOF) moles of copper ammine complex per formula unit of sorbent. We have shown that it is possible to convert the bound ammine complex to nanosized copper(II) sulfide by treatment with sodium sulfide. [ABSTRACT FROM AUTHOR]

new inorganic-organic vanadate coordination polymer [Cu(bbi)(VO)] · 4HO (bbi = 1,1-(1,4-butanediyl)bis(imidazole)) ( 1) has been synthesized under hydrothermal condition and characterized by elemental analyses, IR spectra and single crystal X-ray diffraction. Structure analysis revealed that the three-dimensional structure of compound 1 is constructed from two-dimensional [Cu(bbi)] layers linked through {VO} building blocks. Compound 1 represents the first example of metal-organic frameworks with non-interpenetrated five-connected topological network (4·6) based on Cu(II) as nodes, bbi and {VO} as mixed spacers. The electrochemical behavior of 1 modified carbon paste electrode ( 1-CPE) in 1M HSO aqueous solution has been studied. [ABSTRACT FROM AUTHOR]

high-quality single crystal structure of a new coordination polymer having the formula [Cu(μ-SO)(μ-bpy) · (Hta)] ( 1) (Hta = terephthalic acid; bpy = 4,4′-bipyridine) was obtained when the in situ reaction of CuSO · 5HO with Hta and bpy ligands under solvothermal conditions (HO/ethanol) were carried out. The results of the structural characterization show that Cu(I) ions are bridged by 4,4′-bipyridine to form infinite 1-D chains, which are further linked through the sulfate groups to form a 1-D double chain structure. The extensive hydrogen-bonding interactions between the sulfate anions and free terephthalic acid molecules have an important effect in generating the 2-D layer structures and finally an infinite 3-D sandwich-type coordination polymer. In addition, the luminescent properties of coordination polymer 1 are also discussed. [ABSTRACT FROM AUTHOR]

Preparation, crystal structures, and magnetic properties of two mixed-ligand copper-nitroxide complexes Cu(diket)Lt-Bu are reported (diket = hexafluoroacetylacetonato, trifluoroacetylacetonato; HLt-Bu = 1-(1-oxyl-2,2,5,5-tetramethyl-imidazolidin-4-ylidene)-3,3-dimethyl-butan-2-one). The molecules of the complexes behave as pseudotetrahedral tectons and form a 3D structure having the topology of boron network in CrB4. [ABSTRACT FROM AUTHOR]