Triclinic Space Group Research Articles

Photochromism of two 1D coordination polymers constructed by two ligands of 1-carboxyethyl-4,4′-bipyridinium and N,N′-bis(carboxyethyl)-4,4′-bipyridinium

In this paper, two one-dimensional (1D) coordination polymers were designed and prepared by 1-carboxyethyl-4,4′-bipyridinium (CEbpy) and N,N′-bis(carboxyethyl)-4,4′-bipyridinium (BCEbpy) ligands, i.e. {[Cu0.5(CEbpy)]·(1,2,4-H2BTC)·H2O}n (1) and {[Mn0.5(CEbpy)(H2O)]·[Mn(1,2,4-BTC)(H2O)5]·0.5(BCEbpy)·DMF·4H2O}n (2), indicating superior photochromic behavior and photoresponse properties. The crystal structures and electronic transport behaviors of two compounds were studied. Single crystal X-ray analyses reveal that compounds 1 and 2 crystallize in the triclinic space group P-1. Compound 1 exhibits intramolecular electron transport, whereas compound 2 exhibits both intramolecular and intermolecular electron transport, with a photo-response sequence that is 1 less than 2. The non-covalent interactions were investigated by the DFT method, demonstrating pi−pi interactions greatly promote the photoresponsive electron transfer for compounds 1 and 2.

Finding Order in Disorder: The Highly Disordered Lithium Oxonitridophosphate Double Salt Li8+x P3 O10-x N1+x (x=1.4(5)).

The crystalline lithium oxonitridophosphate Li8+x P3 O10-x N1+x , was obtained in an ampoule synthesis from P3 N5 and Li2 O. The compound crystallizes in the triclinic space group P with a=5.125(2), b=9.888(5), c=10.217(5) Å, α=70.30(2), β=76.65(2), γ=77.89(2)°. Li8+x P3 O10-x N1+x is a double salt, the structure of which contains distinctive complex anion species, namely non-condensed P(O,N)4 tetrahedra, and P(O,N)7 double tetrahedra connected by one N atom. Additionally, there is mixed occupation of O/N positions, which enables further anionic species by variation of O/N occupancies. To characterize these motifs in detail, complementary analytical methods were applied. The double tetrahedron exhibits significant disorder in single-crystal X-ray diffraction. Furthermore, the title compound is a Li+ ion conductor with a total ionic conductivity of 1.2×10-7 S cm-1 at 25 °C, and a corresponding total activation energy of 0.47(2) eV.

Synthesis, crystal structure characterization and computational investigation of new thieno[2,3-b]pyridine derivatives as potent against molecule p38 alpha MAP kinase

In this study, two new thieno[2,3-b]pyridine derivatives (2 and 3) have been synthesized and characterized by single X-ray diffraction. While compound 2 crystallizes in monoclinic space group P21/c, compound 3 crystallizes in triclinic space group P. These compounds were further subjected to molecular docking simulation with p38 alpha MAP kinase to understand the binding interaction mechanism, in addition to that ADMET analysis was also performed to explore the title compounds to characterize the future drug candidate. To rationalize their structure-activity relationship, a DFT study based on the B3LYP/6-311++G** theoretical level was also done in this study.

Red and Blue-Black Tin Monoxide, SnO: Pitfalls, Challenges, and Helpful Tools in Crystal Structure Determination of Low-Intensity Datasets from Microcrystals

The crystal structures of red and blue-black tin(II) oxide, SnO, have been determined for the first time by single-crystal X-ray diffraction. Blue-black SnO crystallizes in the tetragonal space group P4/nmm, representing a layer structure consisting of the square–pyramidally coordinated tin and slightly distorted tetrahedrally coordinated oxygen atoms, in accordance with previous results. In contrast, red SnO crystallizes in the orthorhombic centrosymmetric space group Pbca rather than in the non-centrosymmetric space group Cmc21, as assumed for a long time. Its layer structure consists of very regular, trigonal–pyramidally coordinated tin atoms as well as trigonal–planar coordinated oxygen atoms. Special care was taken on space group determination, including lattice centering. C-centering could be excluded because of systematic absence violations detected when collecting and processing a primitive triclinic dataset and by generating precession images. In the absence of meaningful extinction conditions resulting from the very small crystal under examination, the structure was initially solved and refined in the triclinic space group P1. Subsequently, the observed atom coordinates were used to reconstruct the actual symmetry skeleton. The various possibilities to identify the correct space group starting from the triclinic solution are demonstrated, and the unique structural features of the crystal structure are visualized.

A new trinuclear Cd(II)-based coordination polymer with Salen ligand building blocks: Synthesis, crystallographic aspects, and optimistic photosensitive Schottky barrier diode behaviour

A new X-ray-characterized Cd(II)-based coordination polymer has been synthesized using Salen ligand (H2L1) and dicyanamide ion (dca) [N(CN)2]−, and characterized using elemental analysis, spectroscopy, SEM/EDX, TEM, and powder X-ray diffraction techniques. According to SCXRD, the complex crystallizes in the triclinic space group P-1. The asymmetric unit includes de-protonated ligands [L]2−, Cd(II) centres, and dca ions. The complex binuclear parts are connected by two μ1,5-dca bridges, resulting in the creation of a one-dimensional coordination polymer [(L1Cd)2(μ1,5-dca)2Cd]n. The polymer undergoes supramolecular aggregation via hydrogen bonding, CH···π(dca), and CH···π(arene) interactions. Hirshfeld surfaces (HS) and 2D fingerprint plots have been deployed to visualize the supramolecular interactions. The analysis shows that N…H interactions (18.2%) are more common in the crystal packing than Cd···O/O···H. This complex displays electrical conductivity and photosensitivity properties, making it a promising material for optoelectronic applications. Experimental and DFT studies have confirmed that it is a direct semiconductor with a specific optical band gap (3.54 eV) and is also used to construct a photosensitive Schottky barrier diode (SBD). The DFT calculated optical conductivity was used to analyse how the material's conductivity changes upon illumination. Due to the photon absorption, the material's electrical conductivity and photoconductivity change were concomitantly observed. Finally, the DOS analysis explains the complex's conductivity behaviour in a better logistic way.

Structural Investigation of Tetra-n-Butylammonium Perchlorate

The crystal structure of tetra-n-butylammonium perchlorate has been successfully elucidated using single-crystal X-ray diffraction. The compound crystallizes in the triclinic space group P1¯ with unit cell of dimensions a = 14.2706(7) Å, b = 20.6904(9) Å, c = 39.970(2) Å, α = 89.316(4)°, β = 88.638(4)°, and γ = 87.801(4)°. Although complicated by partial disorder, the structure has remarkable features where columns of some of the perchlorate anions running down [100] lie within what can be regarded as nanotubular entities formed by some of the tetrabutylammonium cations, while the remaining tetrabutylammonium cations lie in parallel columns surrounded by the remaining perchlorate anions, one entity being essentially the inverse of the other. Interactions within the structure have been characterized using Hirshfeld surface analysis and comparisons drawn with other unsolvated salts of the cation.

Architecture of the rings of 5-arylidenerhodanine derivatives versus P-gp inhibition.

5-Arylidene derivatives of rhodanine show various biological activities. The new crystal structures of five derivatives investigated towards ABCB1 efflux pump modulation are reported, namely, 2-[5-([1,1'-biphenyl]-4-ylmethylidene]-4-oxo-2-thioxothiazolidin-3-yl)acetic acid dimethyl sulfoxide monosolvate, C18H13NO3S2·C2H6OS (1), 4-[5-([1,1'-biphenyl]-4-ylmethylidene]-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, C20H17NO3S2 (2), 5-[4-(benzyloxy)benzylidene]-2-thioxothiazolidin-4-one, C17H13NO2S2 (3), 4-{5-[4-(benzyloxy)benzylidene]-4-oxo-2-thioxothiazolidin-3-yl}butanoic acid, C21H19NO4S2 (4), and 5-[4-(diphenylamino)benzylidene]-2-thioxothiazolidin-4-one, C22H16N2OS2 (5). Compounds 1 and 3-5 crystallize in the triclinic space group P-1, while 2 crystallizes in the monoclinic space group P21/n, where the biphenyl moiety is observed in two positions (A and B). Two molecules are present in the asymmetric unit of 5 and, for the other four compounds, there is only one molecule; moreover, 1 crystallizes with one dimethyl sulfoxide molecule. The packing of the molecules containing a carboxyl group (1, 2 and 4) is determined by O-H...O hydrogen bonds, while in the other two compounds (3 and 5), the packing is determined by N-H...O hydrogen bonds. Additionally, induced-fit docking studies have been performed for the active compounds to investigate their putative binding mode inside the human glycoprotein P (P-gp) binding pocket.

Synthesis of 4-Pyridinylquinolines via Sugasawa and Friedlander Reaction from 4-Cyanopyridine with Anilines and Ketones

Abstract: Firstly, 2-amino aromatic ketones were synthesized by o-acylation of p-substituted anilines with nitrile under Sugasawa conditions, and the yield was up to 90.1%. Then, 4-pyridinylquinoline derivatives were synthesized by Friedlander reaction with α-methylene ketones, and the yield was up to 81.9%. The structures of five 2-amino aromatic ketones and eighteen substituted quinolines were characterized by MS, 1H NMR, and 13C NMR. The structures were further confirmed by single crystal X-ray diffraction, which was consistent with the expected structures. Analyzing the crystal structure, it was found that compounds 4j and 4q crystallized in the monoclinic with the P21/n space group, respectively. Compounds 2c, 2d, 2e, and 4n crystallized in the triclinic with the P-1 space group, respectively. Of which compound 4n crystallized in the triclinic space group P-1 with two crystallographically independent but chemically equivalent molecules in the asymmetric unit. The two independent molecules were found to possess different orientations of the chlorine, methyl, pyridyl, and acetyl groups relative to the core (quinoline) two-ring system. This work provides a simple, straightforward synthetic protocol for preparing 4-pyridinylquinoline derivatives.

An Unexpected New Member of the Family of Lithium Oxonitridosilicates – Li7Si2NO6

AbstractWith Li7Si2NO6, a new member of the family of lithium oxonitridosilicates with a so far unseen structure type could be synthesized. Using a high‐temperature solid‐state reaction in open nickel crucibles under nitrogen flow, it was possible to obtain single crystals from the starting materials SiO2, Li3N, and Li2O at temperatures of 900 °C. Single crystal X‐ray diffraction data yielded lattice parameters of a=5.0934(2), b=7.4128(2), c=8.5918(2) Å, α=75.16(1)°, β=87.36(1)°, γ=73.01(1)° and a cell volume of V=299.75(2) Å3. The compound, crystallizing in the triclinic space group P (no. 2), consists of a highly condensed anionic network built up by [SiNO3]‐, [LiO4]‐, and [LiN2O2]‐tetrahedra as well as lithium in octahedral coordination as completing cation. With an activation barrier of 695 meV for lithium migration, Li7Si2NO6 is a potential lithium‐ion conductor. The structure allows a classification not only as a sorosilicate but also as a tecto‐lithosilicate and most precisely as a lithium oxonitridolithosilicate, when the different coordinations of the lithium ions are taken into account. Interestingly, the new compound is none of the several proposed representatives of the lithium oxonitridosilicates, thus expanding this substance class unexpectedly.

Copper(II) halide salts of 5-bromo-2-aminopyridine and 3,5-dibromo-2-aminopyridine: syntheses, structures and magnetic behavior

Two 5-bromo-2-aminopyridinium quantum Heisenberg antiferromagnetic (QHAF) complexes of copper(II) have been synthesized and studied structurally and magnetically. The structures of (5-BAPH)2[CuCl4] (1) and (5-BAPH)(3,5-diBAPH)[CuBr4] (2) are reported [5-BAPH = 2-amino-5-bromopyridinium; 3,5-diBAPH = 2-amino-3,5-dibromopyridinium]. Single-crystal X-ray diffraction measurements show that 1 crystallizes in the triclinic space group Pī and 2 crystallizes in the monoclinic space group P21/c. Both products crystallize with a four-coordinate Cu(II) ion and are stabilized with extensive hydrogen bonding between the halide ions and pyridinium and amino substituents on each cation. The tetrahalidocuprate ions in 1 and 2 exist in distorted geometries between square planar and tetrahedral with mean trans angles of 139.48° and 131.85°, respectively. Halogen bonding is also observed. Magnetic susceptibility data were collected on 1 and 2. Magnetic susceptibility data of 1 exhibit moderate antiferromagnetic interactions which are best fit using an alternating chain model [CC = 0.4262(3) cm3 K mol−1, J/kB = −22.75(2) K, α = 0.134(3)]. Magnetic susceptibility data of 2 exhibit weak antiferromagnetic interactions, best fit using a uniform chain model [CC = 0.410(6), J/kB = −6.1(4) K].

Crystal structures and Hirshfeld surface analyses of (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-phenyl-diazene, (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-methyl-phen-yl)diazene, (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-meth-oxy-phen-yl)diazene and (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(3-methyl-phen-yl)diazene.

The crystal structures and Hirshfeld surface analyses of four similar azo compounds are reported. (E)-1-[1-(4-tert-Butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-phenyl-diazene, C18H18Cl2N2, (I), and (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-methyl-phen-yl)diazene, C19H20Cl2N2, (II), crystallize in the monoclinic space group C2/c with Z = 8, and (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-meth-oxy-phen-yl)diazene, C19H20Cl2N2O, (III), in the monoclinic space group P21/c with Z = 4. (E)-1-[1-(4-tert-Butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(3-methyl-phen-yl)diazene, C19H20Cl2N2, (IV), crystallizes in the triclinic space group P with Z = 4 and comprises two mol-ecules (A and B) in the asymmetric unit. In the crystal structures of (I) and (II), mol-ecules are linked by C-H⋯π and C-Cl⋯π inter-actions, forming layers parallel to (02), while mol-ecules of (III) are linked by C-H⋯O contacts, C-H⋯π and C-Cl⋯π inter-actions forming layers parallel to (02). The stability of the mol-ecular packing is ensured by van der Waals forces between these layers. In the crystal structure of (IV), mol-ecules are linked by C-H⋯π and C-Cl⋯π inter-actions, forming a tri-periodic network.

Preparation, crystal structure and properties of a new organic-inorganic hybrid: Substituted benzyl aminopyridinium tetrachloromanganate(II)

In this paper, a new organic-inorganic hybrid, 4-methylbenzyl-2-aminopyridinium tetrachloromanganate(II)[4-MeBz-2-NH2Py]2[MnCl4](1), was synthesized and characterized. The single crystal X-ray diffraction analysis showed that the as-prepared hybrid crystallizes in triclinic space group P-1 and consists of two [4-MeBz-2-NH2Py]+ cations and a tetrahedral [MnCl4]2− anion. The emission spectrum and excitation spectrum appear at 520 nm and 343 nm, and the latter was consistent with the fluorescence color of the crystal illuminated by a 365 nm UV light. The intermolecular energy, the energy gap between the HOMO and LUMO orbitals, and the first hyperpolarizability was predicted by the DFT calculations. The low energy gap (1.28 eV) explained the eventual charge transfer interactions taken place between the [MnCl4]2− anion and [4-MeBz-2-NH2Py]+ cations. The first hyperpolarizability (βtot) was more than 3600 times that of the standard KDP crystal, proving that the title hybrid is a superior material for NLO application. In addition, the hybrid exhibits superior bactericidal activity for S. aureus and E. coli.

Alunogen from the sulfate efflorescence of the Stone Town Nature Reserve in Ciężkowice (the Outer Carpathian Mountains, Poland)

Alunogen (Al2(SO4)3∙17H2O), a rare secondary mineral, has been found in the efflorescence on sandstones from the Stone Town Nature Reserve in Ciężkowice, southeastern Poland. This is probably the first find of this salt on such rocks in Poland. Alunogen forms in various geological environments, but mainly from the oxidation of pyrite and other metal sulfides in ore deposits and Al-rich Earth materials under low-pH conditions. Its crystallization at this particular site depends on a set of necessary physicochemical (pH, concentration), climatic (season, temperature, humidity), site-related (location and protection of efflorescence), and mineralogical (the presence of pyrite) conditions. This paper presents the mineralogical and geochemical characteristics of the alunogen from the Stone Town Nature Reserve (based on SEM-EDS, XRPD, EPMA and Raman spectroscopy methods) as well as of the efflorescence itself (based on XRPD and STA coupled with QMS and FTIR for the analysis of gas products). Crystals of alunogen take the shape of flakes, often with a hexagonal outline, clustered in aggregates forming a cellular network. Its calculated formula is (Al1.96Fe3+0.01)Σ1.97(SO4)3∙17H2O (based on 12 O and 17 H2O). The unit-cell parameters refined for the triclinic space group P1 are: a = 7.423 (1) Å, b = 26.913 (5) Å, c = 6.056 (1) Å, a = 89.974 (23)°, b = 97.560 (25)°, g = 91.910 (22)°. The Raman spectra (SO4) bands are: intensive 995 cm−1 (ν1); low-intensive 1069, 1093 and 1127 cm−1 (ν3); low-intensive 419 and 443; medium-intensive 470 cm−1 (ν2); and medium-intensive 616 cm−1 (ν4). Those at 530, 312 and at 338 cm−1 are assigned to water vibrations and those at 135, 156, 180 cm−1 to the lattice modes. Although the efflorescence contained an admixture of other minerals (pickeringite, gypsum and quartz), the predominant alunogen is almost chemically pure and the above parameters are consistent with the values reported in the literature for alunogen from different locations and of various origins.

Structure and microwave dielectric properties of novel walstromite-type MCa2Si3O9 (M = Ba, Sr) ceramics

Novel walstromite-type MCa2Si3O9 (M = Ba, Sr) ceramics, with triclinic space group P-1, were prepared through a solid-state reaction method. The P–V-L theory proves that the lattice energy and bond energy of the Si–O bond play a leading role in the quality factor and the dielectric constant is mainly determined by the ionic polarization. Excellent microwave dielectric properties of BaCa2Si3O9 and SrCa2Si3O9 ceramics could be obtained: εr = 8.99 ± 0.23, Q × f = 44,542 ± 500 GHz, and τf = −25.9 ± 3.0 ppm/°C and εr = 7.39 ± 0.23, Q × f = 48,772 ± 500 GHz, and τf = −27.5 ± 3.0 ppm/°C, when sintered at 1240/1280 °C for 4 h. Then SrCa2Si3O9 ceramic is applied to a new microstrip bandpass filter, because of its high microwave dielectric properties and low thermal expansion coefficient. With reduced dimension, the filtering performance of the circuit is also highly improved, including reduced capacitor parasitic effect and the optimized stopband insertion loss. Accordingly, the SrCa2Si3O9 ceramic is a promising candidate for sub-6 GHz a filter of microstrip bandpass applications.

4-carboxyanilinium phosphite: A structural, vibrational, thermal and computational study

A new organo- phosphite adduct, 4-carboxyanilinium dihydrogen phosphite (4-CAPI) was synthesized and characterized by single-crystal X-ray diffraction, FTIR and DSC. 4-CAPI crystallises in the Triclinic space group, P-1, Z = 4, with two 4-CA cations and two H2PO3− anions in an asymmetric unit. In 4-CAPI crystal the organic layer containing 4-CA cations and the inorganic layer containing phosphite anions are connected through a three-dimensional network of strong charge-assisted N–H⋯O and C–OH⋯O hydrogen bonds. The cations, 4-CA exists as a cyclic acid dimer. The infrared vibrational frequencies of 4-CAPI were assigned and the spectral features of 4-CAPI obtained suggest presence of a stronger NH⋯O and C–OH⋯O hydrogen bond interactions thus corroborating with the x-ray result. The intermolecular interaction topology of 4-CAPI has been quantitatively analyzed using the computational tool of energy framework analysis, A very high values of interaction energies are found for the hydrogen bonded anion–cation pairs. The major contribution is from electrostatic interaction.

Physico-Chemical Characterization, DFT Modeling and Biological Activities of a New Zn (II) Complex Containing Melamine as a Template

Single crystals of a new organic–inorganic hybrid compound (C3H7N6)2[ZnCl4]·H2O was synthesized and characterized by X-ray diffraction at room temperature, FT-IR and FT-Raman spectroscopies, optical absorption and photoluminescence behavior. The title compound belongs to the triclinic space group P1¯, and in the crystal structure, the inorganic layers are built from tetrachloridozincate anions [ZnCl4]2− and free water molecules, linked together by O–H···Cl hydrogen bonds and halogen···halogen interactions. In addition, Hirshfeld surfaces and 2D fingerprint plots estimate the weak intermolecular interactions accountable for the generation of crystal packing. The optimized geometry, vibrational frequencies and various thermodynamic parameters of the title compound calculated using density functional theory (DFT) methods are in agreement with the experimental values. The theoretical calculations were performed using the DFT method at WB97XD/Lanl2dz basis set levels and we discussed topological analysis of atoms in molecules (AIM) at the BCP point. A detailed interpretation of the IR and Raman spectra were reported. Additionally, the simulated spectrum satisfactorily coincided with the experimental UV-Visible spectrum. A wide band gap exceeding 4 eV of the synthesized compound was recorded. The photoluminescence (PL) was characterized through two bands successively at 453 and 477 nm. Ultimately, antimicrobial activity and enzymatic inhibition assays of the complex were also investigated through microbial strains, agar diffusion method, minimum inhibitory concentration (MIC) determination, lipase and phospholipase A2 inhibition.

Synthesis, crystal growth and characterization of piperazinium 5-nitrosalicylate (P5NS) single crystal for nonlinear optical (NLO) applications

A single crystal of Piperazinium 5-nitrosalicylate (P5NS) was grown by using slow evaporation solution technique (SEST). The structural analysis (crystal system & cell parameter) of the grown P5NS crystal was examined by single crystal XRD and it exposed that the P5NS crystal has a crystal triclinic system and space group (P-1). Using powder XRD analysis, miller index and (h k l) planes were identified. The P5NS crystal has a sharp cutoff wavelength around 380 nm and is transparent in UV region. The FTIR analysis was investigated on the P5NS crystal to find out the P5NS functional groups. The thermogravimetric and differential thermal analysis illustrate that the P5NS crystal is thermally stable upto 255 °C. Further increase in the temperature resulted in decomposition of P5NS. The etch pit density of P5NS crystal has been calculated by using the chemical etching analysis. The Photoconductivity study reveals that the grown PMC crystal has positive photoconductive nature. The electrical properties, dielectric constant and dielectric loss were determined. The laser damage threshold (LDT) analysis was investigated by Nd: YAG laser and the wavelength of laser is 1064 nm. Intermolecular interactions of P5NS is executed by the Hirshfeld surface analysis. The NLO susceptibility (χ(3)) was calculated by the Z-scan method using the source of He-Ne laser, whose wavelength is 632.8 nm.

9-(Pyrrolidinium-1-yl)-9-boranuidabi-cyclo-[3.3.1]nona-ne.

The title compound, C12H24BN, is an adduct formed from 9-borabi-cyclo-[3.3.1]nonane (9-BBN) and pyrrolidine. It crystallizes in the triclinic space group P with three mol-ecules in the asymmetric unit, one of which has disorder of the pyrrolidine ring. The B-N bond lengths are between 1.631 (2) and 1.641 (2) Å. The boron and nitro-gen atoms are bound to one hydrogen atom each. These hydrogen atoms are in anti-periplanar orientation. Both six-membered rings of the 9-BBN unit are in a chair conformation in all three mol-ecules. Differences between the three crystallographic independent mol-ecules are found in the five-membered rings of the pyrrolidine unit. These adopt different twisted and envelope conformations.

Two inorganic-organic hybrid complexes based on Mn(II) and Bi(III): Synthesis, crystal structure, and properties

Two manganese(II) and bismuth(III) complexes of the formulae [Mn(H2O)6]·H2bptc (1) and (H2bipy)2[Bi2Cl10]∙2H2O (2) (H4bptc = 3,3′,4,4′-biphenyltetracarboxylic acid, bipy = 4,4′-bipyridine) were synthesized. The complexes were characterized by elemental analyses, single-crystal X-ray diffraction, powder X-ray diffraction, infrared spectra, and thermal analyses. Structurally, 1 is a mononuclear complex with a triclinic space group P1‾. 2 is a dinuclear complex and it is built of two Bi3+ ion cores bridged through two Cl− ions. Furthermore, the result of fluorescence showed that 1 had fluorescent property. And the nanometer manganese oxide was prepared using 1 as a precursor. In addition, the photocatalytic activity of 2 on the degradation of Rhodamine B (RhB) was investigated and a possible photocatalytic mechanism was proposed.

Third order non-linear optical properties of cadmium magnesium oxalate crystals grown by silica gel technique

Cadmium magnesium oxalate (CdMgO) crystals were grown by silica gel technique. Crystals were optimized by parameters like specific gravity of sodium meta silicate (SMS), concentration of the oxalic acid (C2H2O4·2H2O) solution, pH of the gel, gel setting time, concentration of the cadmium chloride (CdCl2·2H2O) and Magnesium chloride (MgCl2·6H2O) solutions. Grown oxalate crystals examined under Powder X-Ray Diffraction (PXRD), Fourier Transform Infrared (FTIR) spectrum, Raman spectrum and Z-scan instruments. Grown materials are crystallizes in the triclinic system space group P1 with lattice parameters, a = 5.9906 Å, b = 6.6215 Å, c = 8.4736 Å and α = 74.55°, β = 74.091°, γ = 80.911°. Comparison study of FTIR and Raman spectrum of grown crystals were discussed. Third order non-linear optical parameters such as nonlinear absorption coefficient (β=∼10−4cm/W), nonlinear refractive index (n2 = ∼10 −9 cm2 /W), susceptibility (χ(3) =∼10−7esu) and molecular hyperpolarizability (hγ =∼10−27esu) were determined from Z-scan experimental data analysis.