Space Group Pna21 Research Articles

Different patterns of supra-molecular aggregation in three amides containing N-(benzo[d]thia-zol-yl) substituents.

Crystal structures are reported for three amides containing N-benzo[d]thia-zole substituents. In N-(benzo[d]thia-zol-6-yl)-3-bromo-benzamide, C14H9BrN2OS, where the two ring systems are nearly parallel to one another [dihedral angle = 5.8 (2)°], the mol-ecules are linked by N-H⋯O and C-H⋯N hydrogen bonds to form ribbons of R 3 3(19) rings, which are linked into sheets by short Br⋯Br inter-actions [3.5812 (6) Å]. N-(6-Meth-oxy-benzo[d]thia-zol-2-yl)-2-nitro-benzamide, C15H11N3O4S, crystallizes with Z' = 2 in space group Pna21: the dihedral angles between the ring systems [46.43 (15) and 66.35 (13)°] are significantly different in the independent mol-ecules and a combination of two N-H⋯N and five C-H⋯O hydrogen bonds links the mol-ecules into a three-dimensional network. The mol-ecules of 5-cyclo-propyl-N-(6-meth-oxy-ben-zo[d]thia-zol-2-yl)-isoxazole-3-carboxamide, C15H13N3O3S, exhibit two forms of disorder, in the meth-oxy group and in the cyclo-propyl-isoxazole unit; symmetry-related pairs of mol-ecules are linked into dimers by pairwise N-H⋯N hydrogen bonds. Comparisons are made with the structures of some related compounds.

Magnetocapacitance effect and magnetoelectric coupling in type-II multiferroic HoFeWO6

We have investigated the multiferroicity and magnetoelectric (ME) coupling in $\mathrm{Ho}\mathrm{Fe}\mathrm{W}{\mathrm{O}}_{6}$. With a noncentrosymmetric polar structure (space group Pna${2}_{1}$) at room temperature, this compound shows an onset of electric polarization with an antiferromagnetic ordering at the N\'eel temperature (${T}_{N}$) of 17.8 K. The magnetic properties of the polycrystalline samples were studied by DC and AC magnetization and heat capacity measurements. The metamagnetic behavior at low temperatures was found to be directly related to the dielectric properties of the compound. In particular, field-dependent measurements of capacitance show a magnetocapacitance (MC) effect with double-hysteresis loop behavior in direct correspondence with the magnetization. Our x-ray diffraction results show the Pna${2}_{1}$ structure down to 8 K and suggest the absence of a structural phase transition across ${T}_{N}$. Soft x-ray absorption spectroscopy and soft x-ray magnetic circular dichroism (XMCD) measurements at the Fe $L{}_{2,3}$ and Ho $M{}_{4,5}$ edges revealed the oxidation state of Fe and Ho cations to be $3+$. Fe $L{}_{2,3}$ XMCD further shows that ${\mathrm{Fe}}^{3+}$ cations are antiferromagnetically ordered in a noncollinear fashion with spins arranged ${90}^{\ensuremath{\circ}}$ with respect to each other. Our findings show that $\mathrm{Ho}\mathrm{Fe}\mathrm{W}{\mathrm{O}}_{6}$ is a type-II multiferroic exhibiting a MC effect. The observed MC effect and the change in polarization by the magnetic field, as well as their direct correspondence with magnetization, further support the strong ME coupling in this compound.

Twinning, Superstructure and Chemical Ordering in Spryite, Ag8(As3+0.50As5+0.50)S6, at Ultra-Low Temperature: An X-Ray Single-Crystal Study

Spryite (Ag7.98Cu0.05)Σ=8.03(As5+0.31Ge0.36As3+0.31Fe3+0.02)Σ=1.00S5.97, and ideally Ag8(As3+0.5As5+0.5)S6, is a new mineral recently described from the Uchucchacua polymetallic deposit, Oyon district, Catajambo, Lima Department, Peru. Its room temperature structure exhibits an orthorhombic symmetry, space group Pna21, with lattice parameters a = 14.984(4), b = 7.474(1), c = 10.571(2) Å, V = 1083.9(4) Å3, Z = 4, and shows the coexistence of As3+ and As5+ distributed in a disordered fashion in a unique mixed position. To analyze the crystal-chemical behaviour of the arsenic distribution at ultra-low temperatures, a structural study was carried out at 30 K by means of in situ single-crystal X-ray diffraction data (helium-cryostat) on the same sample previously characterized from a chemical and structural point of view. At 30 K, spryite still crystallizes with orthorhombic symmetry, space group Pna21, but gives rise to a a × 3b × c superstructure, with a = 14.866(2), b = 22.240(4), c = 10.394(1) Å, V = 3436.5(8) Å3 and Z = 4 (Ag24As3+As5+Ge4+S18 stoichiometry). The twin laws making the twin lattice simulating a perfect hexagonal symmetry have been taken into account and the crystal structure has been solved and refined. The refinement of the structure leads to a residual factor R = 0.0329 for 4070 independent observed reflections [with Fo > 4σ(Fo)] and 408 variables. The threefold superstructure arises from the ordering of As3+ and (As5+, Ge4+) in different crystal-chemical environments.

Application of a one dimensional Co-MOP wires on supercapacitors

Herein, we designed and prepared a one-dimensional (1-D) cobalt-based metal organic coordination polymer (2,4-pdc-Co) by hydrothermal method. 2,4-pdc-Co has the molecular formula of Co4(H2O)10(2,4-pdc)4 and possesses orthorhombic symmetry Pna21 space group. In the same synthesis method, we added urea as a template. On the premise of maintaining this 1-D microstructure, we modified the block-shape 2,4-pdc-Co into a 1-D wire (2,4-pdc-Co-W). As an electrode material for supercapacitors, compared with 2,4-pdc-Co, the modified 2,4-pdc-Co-W shows better electrochemical performance. The specific capacitance of the optimized electrode material can reach 325 F g-1at 1 A g−1. 2,4-pdc-Co-W is also assembled with activated carbon to form a battery-type hybrid supercapacitor. As the positive material for the device, an assembled hybridcapacitor delivers an energy density of 17.7 Wh kg−1 at power density of 400 W kg−1.

Second-order nonlinear optical property of the ultraviolet transparent alkali metal-rare earth metal carbonate Na3Y(CO3)3.3H2O

An ultraviolet (UV) transparent carbonate Na3Y(CO3)3.3H2O was synthesized using a mild hydrothermal method. Na3Y(CO3)3.3H2O crystallizes in the polar and non-centrosymmetric space group Pna21. The structure of Na3Y(CO3)3.3H2O features a three-dimensional (3D) framework composed of [Y(CO3)3(H2O)3] units that are further bridged by Na+ cations and hydrogen bonds. Powder second-harmonic generation (SHG) measurement shows that Na3Y(CO3)3.3H2O exhibits phase-matching behavior, and the measured SHG intensity was 2.0 times that of benchmark KH2PO4 (KDP). The diffuse reflectance spectrum shows that the UV cutoff edge is about 236 ​nm (5.25 ​eV) for Na3Y(CO3)3.3H2O. Theoretical studies based on density functional theory have been implemented to further understand the relationship between its optical properties and electronic structures.

Optical and AC conductivity behavior of sodium orthosilicate Na2CoSiO4

Na2CoSiO4 was prepared by an improved solid-state (NCS-SS) and co-precipitation (NCS-CP) methods. The X-ray powder diffraction at room temperature revealed that these compounds crystallize in the orthorhombic system with Pna21 and Pbca space groups for NCS-SS and NCS-CP, respectively. Cristoballite structure presents a three-dimensional framework built of alternating corner-sharing CoO4 and SiO4 tetrahedra delimiting cavities, in which sodium Na+ ions are located. Infrared spectra at room temperature showed the presence of CoO4 and SiO4. The calculated values of the direct band gaps (Eg) were estimated at 2.22 eV and 2.17 eV for NCS-SS and NCS-CP, respectively, proving that NCS-CP has a better electronic conductivity than NCS-SS. The electrical data analysis of the impedance spectra revealed the presence of three contributions at different temperatures associated with two grains and grain boundary effects. In order to correlate the electric properties with NCS structure, the Na+ migration can move along [100], [010], [101] pathways for NCS-SS and [010], [001], [011] pathways for NCS-CP. Each NCS sample presented different activations energies due to the Na+ mobility pathway and NCS-SS had higher activation energies than those of NCS-CP due to different cavity forms. The temperature dependence of frequency exponent s showed that the conduction in Na2CoSiO4 was insured by the small polaron NSPT and CBH models, thus indicating that the migration of sodium can go through different paths. At high temperature (T > 533 K), NCS-CP shows only one conduction process. Actually, it is an overlap of two processes that indicate either a cavity deformation or Na ions types becoming the same conduction process.

Structural phase transition, vibrational analysis, ionic conductivity and conduction mechanism studies in an organic-inorganic hybrid crystal: [N(CH3)3H]2CdCl4

Hybrid organic-inorganic metal halides (HOMHs) present good application prospects in optoelectronics and photovoltaic as a result of their richness in physical properties and diverse structural assemblies. Herein, the organic-inorganic hybrid compound, [N(CH3)3H]2CdCl4 (1) is successfully synthesized by slow evaporation at room temperature. X-ray powder diffraction shows that 1 crystallizes in the orthorhombic system with the space group Pna21. The chemical composition of 1 is discussed by a STEM−EDS. Two-phase transitions at T1=253/263 ​K and T2=290/300 ​K are confirmed by the differential scanning calorimetry (DSC) curve. The measurements of the electrical properties are performed in the 10−1−107 ​Hz frequency range and 220−335 ​K temperature interval. The study on the charge transfer mechanism of 1 is done with the help of Elliott’s theory. The conduction mechanism in 1 is interpreted by different approaches: the correlated barrier hopping (CBH) model in phase I, the non-overlapping small polaron tunneling (NSPT) model in phase II, and the overlapping large polaron tunneling (OLPT) model in phase III.

C-H⋯O contacts in the crystal structure of 1,3-di-thiane 1,1,3,3-tetra-oxide.

The crystal structure of 1,3-di-thiane 1,1,3,3-tetra-oxide, C4H8O4S2, has been determined to examine the inter-molecular C-H⋯O hydrogen bonds in a small mol-ecule with highly polarized hydrogen atoms. The crystals are monoclinic, space group Pn, with a = 4.9472 (5), b = 9.9021 (10), c = 7.1002 (7) Å and β = 91.464 (3)° with Z = 2. The mol-ecules form two stacks parallel to the a axis with the molecules being one a translation distance from each other. This stacking involves axial hydrogen atoms on one mol-ecule and the axial oxygen atoms on the adjacent mol-ecule in the stack. None of these C-H⋯O contacts is particularly short (all are > 2.4 Å). The many C-H⋯O contacts between the two stacks involve at least one equatorial hydrogen or oxygen atom. Again, no unusually short contacts are found. The whole crystal structure basically consists of a complex network of C-H⋯O contacts with no single, linear C-H⋯O contacts, only contacts that involve two (bifurcated), and mostly three or four neighbors.

Growth, optical, spectral, thermal and mechanical investigations of organic NLO crystal cis-2, 6-bis(4-chlorophenyl)-3, 3-dimethylpiperidin-4-one

The single crystal of cis-2,6-bis(4-chlorophenyl)-3,3-dimethylpiperidin-4-one (4C3DMPO) has been grown using a slow evaporation technique. 4C3DMPO is a non-centrosymmetric crystal which crystallizes in the orthorhombic system with space group Pna21. Benzene is used as a solvent for the crystal growth based on solubility studies. The mechanical studies, using microhardness methods, have also been carried out. The compound is characterised using UV, FT-IR and NMR spectral studies. Furthermore, the thermal stability of the crystal is established by TG/DTA. The nonlinear optical studies (SHG) of the crystal have been determined using the Kurtz and Perry powder technique and the activity observed is 2.5 times greater than that of KDP.

Crystal structure, Hirshfeld surface analysis and energy framework study of 6-formyl-7,8,9,11-tetra-hydro-5H-pyrido[2,1-b]quinazolin-11-one.

At 100 K, the title compound, C13H12N2O2, crystallizes in the ortho-rhom-bic space group Pna21 with two very similar mol-ecules in the asymmetric unit. An intra-molecular N-H⋯O hydrogen bond leads to an S(6) graph-set motif in each of the mol-ecules. Inter-molecular π-π stacking and C=O⋯π inter-actions involving the aldehyde O atoms link mol-ecules into stacks parallel to [100]. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing stem from H⋯H (49.4%) and H⋯O/O⋯H (21.5%) inter-actions. Energy framework calculations reveal a significant contribution of dispersion energy. The crystal studied was refined as a two-component inversion twin.

Third time's the charm: intricate non-centrosymmetric polymorphism in LnSiP3 (Ln = La and Ce) induced by distortions of phosphorus square layers.

Complex polymorphic relationships in the LnSiP3 (Ln = La and Ce) family of compounds are reported. An innovative synthetic method was developed to overcome differences in the reactivities of the rare-earth metal and refractory silicon with phosphorus. Reactions of atomically mixed Ln + Si with P allowed for selective control over the reaction outcomes resulting in targeted isolation of three new polymorphs of LaSiP3 and two polymorphs of CeSiP3. In situ X-ray diffraction studies revealed that the developed method bypasses formation of the thermodynamic dead-end, the binary SiP. Careful re-determination of the crystal structure ruled out the previously reported ordered centrosymmetric structure of CeSiP3 and showed that the main LnSiP3 polymorphs crystallize in the non-centrosymmetric Pna21 and Aea2 space groups featuring distinct distortions of the regular P square net to yield either cis-trans 1D phosphorus chains (Pna21) or disordered-2D phosphorus layers (Aea2). The disordered 2D nature of the P layers in the Aea2 LaSiP3 polymorph was confirmed by Raman spectroscopy. A unique centrosymmetric P21/c polymorph was observed for LaSiP3 and has a completely different crystal structure lacking P layers. Consecutive polymorphic transformations at increasing temperatures for LaSiP3(Pna21 → P21/c → Aea2) were derived from optimized synthetic profiles and confirmed by a combination of phonon computations and experimental in situ and ex situ annealings. Crystal structures of the LaSiP3 polymorphs were verified via advanced solid state NMR analysis using 31P MAS and 31P{139La} double resonance techniques. A combination of phonon and electronic structure calculations, NMR T1 relaxation times, UV/Vis/NIR spectroscopy, and resistivity measurements revealed that all the reported polymorphs are semiconductors with resistivities and thermal conductivities strongly dependent on the degree of distortion of P square layers in the crystal structure. Reported here, non-centrosymmetric LnSiP3 polymorphs with tunable resistivity and thermal conductivity provide a platform for the development of novel functional materials with a wide range of applications.

Mononuclear Copper(I) Schiff Base Complex Cu((Cl-NO2-ba)2en)I(CH3CN): Synthesis and Crystal Structure

New mononuclear copper(I) Schiff base complex Cu((Cl-NO2-ba)2en)I(CH3CN) (1) containing a bidentate Schiff base ligand (Cl-NO2-ba)2en = 2,4-dichloro-5-nitro-benzylidene-1,2-diaminopropane, was prepared in an acetonitrile solution and characterized by elemental analyses (CHN), FT-IR and UV-Vis spectroscopy. Suitable dark-orange single crystals were obtained by slow evaporation of solvent at 5 ºC for several days. Crystal structure of the title compound 1 was determined by single-crystal X-ray diffraction. The complex 1 crystallizes in orthorhombic space group Pna21, a = 16.8634 (5) Å, b = 8.4460 (5) Å, c = 17.4786 (2) Å, V = 2489.45 (17) Å3 and Z = 4. In addition, the title compound 1 was used as new precursor for the synthesis of copper(II) oxide nanoparticles via solid state thermal decomposition. The as prepared CuO product was characterized by FT-IR, XRD and SEM.

Mononuclear Copper(I) Schiff Base Complex Cu((Cl-NO2-ba)2en)I(CH3CN): Synthesis and Crystal Structure

New mononuclear copper(I) Schiff base complex Cu((Cl-NO2-ba)2en)I(CH3CN) (1) containing a bidentate Schiff base ligand (Cl-NO2-ba)2en = 2,4-dichloro-5-nitro-benzylidene-1,2-diaminopropane, was prepared in an acetonitrile solution and characterized by elemental analyses (CHN), FT-IR and UV-Vis spectroscopy. Suitable dark-orange single crystals were obtained by slow evaporation of solvent at 5 and#186;C for several days. Crystal structure of the title compound 1 was determined by single-crystal X-ray diffraction. The complex 1 crystallizes in orthorhombic space group Pna21, a = 16.8634 (5) and#197;, b = 8.4460 (5) and#197;, c = 17.4786 (2) and#197;, V = 2489.45 (17) and#197;3 and Z = 4. In addition, the title compound 1 was used as new precursor for the synthesis of copper(II) oxide nanoparticles via solid state thermal decomposition. The as prepared CuO product was characterized by FT-IR, XRD and SEM.

Mononuclear Copper(I) Schiff Base Complex Cu((Cl-NO2-ba)2en)I(CH3CN): Synthesis and Crystal Structure

New mononuclear copper(I) Schiff base complex Cu((Cl-NO2-ba)2en)I(CH3CN) (1) containing a bidentate Schiff base ligand (Cl-NO2-ba)2en = 2,4-dichloro-5-nitro-benzylidene-1,2-diaminopropane, was prepared in an acetonitrile solution and characterized by elemental analyses (CHN), FT-IR and UV-Vis spectroscopy. Suitable dark-orange single crystals were obtained by slow evaporation of solvent at 5 and#186;C for several days. Crystal structure of the title compound 1 was determined by single-crystal X-ray diffraction. The complex 1 crystallizes in orthorhombic space group Pna21, a = 16.8634 (5) and#197;, b = 8.4460 (5) and#197;, c = 17.4786 (2) and#197;, V = 2489.45 (17) and#197;3 and Z = 4. In addition, the title compound 1 was used as new precursor for the synthesis of copper(II) oxide nanoparticles via solid state thermal decomposition. The as prepared CuO product was characterized by FT-IR, XRD and SEM.

Mononuclear Copper(I) Schiff Base Complex Cu((Cl-NO2-ba)2en)I(CH3CN): Synthesis and Crystal Structure

New mononuclear copper(I) Schiff base complex Cu((Cl-NO2-ba)2en)I(CH3CN) (1) containing a bidentate Schiff base ligand (Cl-NO2-ba)2en = 2,4-dichloro-5-nitro-benzylidene-1,2-diaminopropane, was prepared in an acetonitrile solution and characterized by elemental analyses (CHN), FT-IR and UV-Vis spectroscopy. Suitable dark-orange single crystals were obtained by slow evaporation of solvent at 5 and#186;C for several days. Crystal structure of the title compound 1 was determined by single-crystal X-ray diffraction. The complex 1 crystallizes in orthorhombic space group Pna21, a = 16.8634 (5) and#197;, b = 8.4460 (5) and#197;, c = 17.4786 (2) and#197;, V = 2489.45 (17) and#197;3 and Z = 4. In addition, the title compound 1 was used as new precursor for the synthesis of copper(II) oxide nanoparticles via solid state thermal decomposition. The as prepared CuO product was characterized by FT-IR, XRD and SEM.

Mononuclear Copper(I) Schiff Base Complex Cu((Cl-NO2-ba)2en)I(CH3CN): Synthesis and Crystal Structure

New mononuclear copper(I) Schiff base complex Cu((Cl-NO2-ba)2en)I(CH3CN) (1) containing a bidentate Schiff base ligand (Cl-NO2-ba)2en = 2,4-dichloro-5-nitro-benzylidene-1,2-diaminopropane, was prepared in an acetonitrile solution and characterized by elemental analyses (CHN), FT-IR and UV-Vis spectroscopy. Suitable dark-orange single crystals were obtained by slow evaporation of solvent at 5 ºC for several days. Crystal structure of the title compound 1 was determined by single-crystal X-ray diffraction. The complex 1 crystallizes in orthorhombic space group Pna21, a = 16.8634 (5) Å, b = 8.4460 (5) Å, c = 17.4786 (2) Å, V = 2489.45 (17) Å3 and Z = 4. In addition, the title compound 1 was used as new precursor for the synthesis of copper(II) oxide nanoparticles via solid state thermal decomposition. The as prepared CuO product was characterized by FT-IR, XRD and SEM.

Anion-driven supramolecular modulation of spin-crossover properties in mononuclear iron(III) Schiff-base complexes.

A series of Fe(III) complexes [Fe(5-F-sal-N-1,4,7,10)]Y (Y = PF6- for 1, Y = ClO4- for 2, Y = I- for 3 and Y = NO3- for 4) have been prepared. Single-crystal X-ray crystallographic studies show that complex 1 crystallizes in the orthorhombic Pna21 space group and complexes 2-4 have an isomorphous structure and crystallize in the same monoclinic space group, P21/n. Complexes 2-4 have two independent molecules (Fe1 and Fe2) in the unit cell. Magnetic susceptibility measurements demonstrated that complexes 1 and 3 showed a gradual one-step SCO behavior (T1/2 for 1 = 177 K and for 3 = 227 K) without thermal hysteresis. The magnetic behavior of 2 shows an incomplete two-step SCO process at T1/2 = 114 K and 170 K, respectively, while 4 is in a high-spin state at all measured temperatures. A careful evaluation of the supramolecular structures of these complexes revealed correlation between the supramolecular packing forces and their SCO behavior. The crystal structure of 1 consists of a three-dimensional (3D) extended network constructed from N-H⋯F and C-H⋯F hydrogen bonds, and C-H⋯π and C⋯C short contacts. In compounds 2-4, the crystal packing is governed by C⋯C, C-H⋯π and p-π interactions for the Fe1 centers and by C-H⋯π/O interactions for the Fe2 centers, which form 1D chains. Additional interactions (C-H⋯F and N-H⋯O/I) connect the neighboring chains and planes to form a complex supramolecular network. The anion⋯π interactions in 4 provide a means for preventing SCO occurring at low temperatures. This suggests that the supramolecular connectivity of the anions influences the magnetic properties.

Synthesis and crystal structure of copper(I) nitrate π-complex with 1-(4-methylphenyl)-5-allylsulfanyl-1H-tetrazole

By means of the alternating-current electrochemical technique a novel copper(I) π,σ-compound [Cu 2 ( Matht ) 2 (H 2 O) 2 ](NO 3 ) 2 ( 1 ) with 1-(4-methylphenyl)-5-allylsulfanyl-1 H -tetrazole ( Matht ) was obtained in a single crystal form and structurally characterized by single crystal X-ray diffraction. 1-(4-Methylphenyl)-5-allylsulfanyl-1 H -tetrazole was prepared in several stages by known protocol, starting from 4-methylaniline. Diffraction data for 1 were collected on a Rigaku AFC7 diffractometer using Mo K a radiation ( λ = 0.71069 Å). The collected diffraction data were processed using CrysAlis RED program. The structure was solved by SIR-92 and refined by least squares method on F 2 by ShelXL. π-Complexe crystallize in the acentric space group Pna 2 1 : a = 27.2002(7), b = 9.7219(3), c = 10.9773(3) Å, V = 2902.81(14) Å 3 , Z = 4. The organometallic component of the structure of complex 1 is represented by the dimer {Cu 2 ( Matht ) 2 (H 2 O) 2 } 2+ , which is formed by chelate-bridging coordination of two organic molecules Matht to Cu + ions. The Cu(I) ion assumes a close to trigonal-pyramidal coordination environment (2N, (C=C) + O), which includes the η 2 -allyl group, the two most nucleophilic N atoms of two adjacent tetrazole nuclei and a water molecule. The water O atom occupies the apical position of the copper(I) polyhedron. The corresponding geometric index τ 4 for copper(I) is 0.81 (for Cu1) and 0.79 (for Cu2). In the structure, despite the trans-arrangement of coordinated molecules relatively to the six-membered {Cu 2 N 4 } cycle, an acentric dimer {Cu 2 ( Matht ) 2 (H 2 O) 2 } 2+ with two independent copper(I) ions is formed. The asymmetry of the latter is associated with the arrangement of one of the allylic groups (atoms C31 and C32) in two positions with a S.O.F. = 0.5. The dihedral angle between the planes of tetrazole and aryl rings equals to 50.0 o . Water molecule plays a role of bridge among the cationic organometallic nucleus and nitrate anions, connecting them by means of hydrogen bonds O−H···O into H-bonded framework. Keywords: copper(I), π-complex, allyl tetrazole, crystal structure.

Two novel LMOFs based on the flexible 1, 3-bis(imidazol-1-ylmethyl)benzene: The synthesis, crystal structures and temperature sensing applications

Two novel coordination polymers (CPs), namely [Zn(cca)(mbix)] (complex 1) and [Cd2(IMB)2(mbix)2]•3H2O (complex 2) (H2cca = 4-carboxycinnamic acid, mbix = 1,3-bis(imidazol-1-ylmethyl)benzene, H2IMB = 4,4’-((1H-imidazole-1-yl)methylene)dibenzoic acid) have been synthesized by using the solvothermal method. The structure of complexes 1 and 2 were characterized with single-crystal X-ray diffraction analysis, IR spectra (IR), elemental analyses and thermogravimetric (TG) analysis. Good phase purity of complexes 1 and 2 were confirmed by powder X-ray diffraction (PXRD) tests. Complex 1 crystallizes in the orthorhombic space group Pna21. In complex 1, each Zn(II) ion is linked by two cca2− anions and two mbix ligands to generate a typical three-dimensional (3D) 4-fold interpenetrated diamondoid network. While, complex 2 crystallizes in the monoclinic system with P21/c space group and exhibits the 2D layer structure. Interestingly, complex 2 exhibits linear response toward to the ambient temperature variation and good reusability in the temperature sensing application, which suggests that the as-synthesized MOFs might be used as quantitative fluorescent thermometers.

Fabrication and Characterization of SnO–Cu2O Mixed Metal Oxide Thin Films for Photoelectrochemical Applications

Herein, we report the synthesis of SnO, Cu₂O and SnO-Cu₂O mixed oxide thin films on fluorinedoped tin oxide (FTO) substrate by Aerosol-Assisted Chemical Vapour Deposition (AACVD) process using [Cu (dmae)₂(H₂O)] and [Sn (dmae) (OAc)]₂ as molecular precursors for SnO and Cu₂O, respectively at 400 °C. The X-ray diffraction (XRD) pattern can be ascribed to the tetragonal phase of SnO crystals with space group P4 and cubic phase of Cu₂O crystals with space group Pn- 3m/nmm, respectively. The surface morphology characteristics of SnO, Cu₂O and SnO-Cu₂Omixed oxide have been investigated using Field Emission Scanning Electron Microscope (FESEM) which revealed that the SnO was grown homogeneously in cubical shape while Cu₂O possess nano balls shaped morphologies. The UV band gap values of SnO-Cu₂O mixed oxide thin film was found to be 2.6 eV appropriate for photoelectrochemical (PEC) applications. The synthesized material was proposed for PEC applications and has shown enhanced catalytic performance in the presence of light.