Crystal structure of tris (phenylammonium) chloride pentachloroantimonate (III) monohydrate

The tris (phenylammonium) chloride pentachloroantimonate (III) monohydrate salt is triclinic with the following cell parameters: a = 9.4283(3), b = 11.4482(3), c = 13.1748(3)Å, = 113.493(2), = 90.381(2), = 97.331(1)°, V = 1290.86(6)ų, with Z = 2 formula units. The structure consists of [C₆H₅NH₃]⁺ cations, water molecules, Cl^– anions, and SbCl₅ square pyramids. Hydrogen bonds, established through water molecule, link the anions [SbCl₅]^2– and Cl^– and make an infinite chain in the [011] direction. Chains are linked together via another hydrogen bond network originating from the ammonium groups. A distortion of the SbCl₅ square pyramid can be attributed to the stereo activity of the Sb(III) lone electron pair.     

Etch pit study of different crystallographic faces of L-arginine hydrobromide monohydrate (LAHBr) in alcohols

Chemical etchants based on simple alcohols were successfully applied for the first time to reveal dislocation sites on the polished {1 0 0}, {0 1 0}, {0 0 1} and {1 1 0} faces of L-arginine hydrobromide monohydrate. Fast dissolving etchants could produce etch pits only on the ‘F' faces but they have no effect on the ‘S' face. Selective behaviour of the etchants for revealing inclined dislocations and cooperating spirals has been demonstrated. Presence of growth spirals on {0 0 1} and {1 1 0} faces reveal that growth of these faces is governed by screw dislocation mechanism.     

Crystal structure of chloritopentamminecobalt(III) tetracyanopalladate(II)

The X-ray crystal structure of [(NH₃)₅Co(ClO₂)][Pd(CN)₄]·H₂O consists of two discrete complex ions and a water of hydration. The red crystals are triclinic, P , with lattice parameters a = 7.1992(5), b = 9.4873(7), c = 11.7752(8) Å. = 66.680(1), = 75.784(1), = 82.203(1)°, and Z = 2 giving a cell volume of 715.27(9) ų and a calculated density of 2.043 g/cm³ at 293°. The chlorite ion is O-bonded to the cobalt atom with amine N—Co distances all equal. The chlorite ion is bent with a O—Cl—O angle of 110.8(2)° and the Cl—O distances being 1.601(3) and 1.558(3) Å, the longer value for the O atom also coordinated to Co. The Pd(CN)^–2 ₄ ions are planar, C-coordinated and stack along the x-axis, separated by 3.599(1) Å and alternatively rotated by 29.9(5)°.     

Synthesis and structure of tris(N-methylaminoethanoldithiocarbamato)arsenic(III)

The title compound was synthesized by the interaction of arsenic(III)chloride with freshly prepared N-methylaminoethanoldithiocarbamic acid in methanol. The compound crystallized in the triclinic system, space groupP with two molecules per unit cell, the dimensions area=6.509(10)Å,b=14.077(3)Å,c=14.195(3)Å, =64.16(2)^o, =84.67(2)^o and =84.00(2)^o. The molecule is monomeric with three short (mean 2.320(3)Å) and three long (mean 2.927(2)Å) As-S bonds. Asymmetry in the As-S bonds is due to the presence of stereochemically active lone pair on arsenic and the coordination polyhedron deviates from the usual D₃ symmetry to C₃ symmetry. Disorder exists in one of the dithiocarbamate ligands probably due to the O...O interaction arising from the water molecule. The anisobidenticity of the As-S bond distances is as a consequence of stereochemical requirement of the ligand and the lone pair of electrons on arsenic.     

Crystal structure of penthylenediammonium pentachlorothallate(III)

The penthylenediammonium pentachlorothallate(III) salt is orthorhombic with the following unit cell dimensions: a = 7.696(3) Å, b = 13.2890(17) Å, and c = 13.503(18) Å, space group P2₁2₁2₁ with Z = 4. The structure was solved by Patterson methods and refined to a final R value of 0.0387 for 1991 observed reflections. The structure consists of penthylenediammonium cations and polynuclear anions in which slightly distorted [TlCl₆]^3– octahedral sharing two vertices are interconnected into chains. These chains are themselves interconnected by means of the N–HCl bonds originating from the [NH₃(CH₂)₅NH₃]²⁺ entities forming a three-dimensional network.     

Crystal and molecular structure of trans-bis(dodecylamine) bis(dimethylglyoximato)cobalt(III) nitrite

An octahedral geometry for the molecule of the title complex with very slight distortions around Co(III) is confirmed by single-crystal X-ray diffraction study. The molecular structure of the complex has been shown to contain two dodecylamine moieties in the trans orientations, two N-bonded dimethylglyoximato (DMG) groups and an uncoordinated nitrite ion.     

Synthesis and crystal structure of an unsymmetric gadolinium(III) cryptate

The synthesis and crystal and molecular structure of [Gd(H₃L)(NO₃)(H₂O)](ClO₄)₂ are reported. The complex crystallizes in the orthorhombic system, space group Pbca with lattice parameters a = 16.974(8), b = 20.010(4), c = 25.202(4) Å, and D_calc = 1.736 mg m^–3, forZ = 8. The coordination number of gadolinium (III) is nine, and its coordination geometry is a distorted monocapped square antiprisms. In the complex, three benzene rings make dihedral angles of 91.7, 92.7, 66.3°, respectively. A water molecule acts as a guest molecule encapsulated in the cryptate.     

Synthesis and crystal structure of an unsymmetric dysprosium(III) cryptate

Synthesis, crystal and molecular structure of [Dy(H₃L)(NO₃)(H₂O)](ClO₄)₂ H₂O are reported. The complex crystallizes in the orthorhombic system, space group Pbca with lattice parameters a = 16.8036(3) Å, b = 20.9756(3) Å, c = 25.1113(4) Å, and D _calc = 1.797 Mg m^–3 for Z = 8. The coordination number of dysprosium(III) is 9, and its coordination geometry is a distorted monocapped square antiprisms. In the cryptate, a water molecule acts as a guest molecule encapsulated in the cryptate.     

Synthesis and structure of ytterbium (III) complex containing tetrachlorophthalate dianions

A novel tetrachlorophthalato-Yb(III) complex [Yb(tcph)(H₂O)₇]Htcph·H₂tcph·H₂O (1) (H₂tcph=tetrachlorophthalic acid) has been synthesized and characterized by the single crystal X-ray diffraction analysis. Colorless crystals of 1 crystallize in the triclinic space group P-1, with a=6.8504(5) ?, b=16.1921(12) ?, c=19.0123(14) ? and α=67.4470(10)°, β=86.5290(10)°, γ=81.6480(10)°, V=2.113 g/cm³ and Z=2. Unique reflections with I > 2σ(I) on refinement afford values of R ₁=0.0219 and wR ₂=0.0565.     

Poole‐Frenkel electrical conduction in europium oxide films deposited on Si(100)

Thin Eu₂O₃ films were prepared on Si (P) substrates to form MOS devices. The oxide crystal structure was determined by X‐ray diffraction (XRD). The electrical transport properties of the devices with amorphous and crystalline Eu oxide were investigated. The current‐voltage and current‐temperature characteristics suggest a Poole‐Frenkel (PF) type mechanism of carrier transport through the device when the applied field is more than 105 V/cm. A deviation from PF leakage current course was found and attributed to the current carrier trapping. We have also observed that, the dielectric spectra of MOS structure are different when the insulator is an amorphous or crystalline thin film. From which we calculate the relaxation time (τ) of the interface (insulator/semiconductor) dipoles. (© 2003 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Coordination complexes of 2,6-diarylpyrazines with copper(II) acetate

The coordination chemistry of a series of 2,6- and 2,3-diarylpyrazines with copper(II) acetate is reported. The 2:2 coordination complexes formed between two 2,6-diarylpyrazines and copper(II) acetate are characterized by X-ray crystallography. The structure (2,6-bis(3,5-dimethylphenyl)pyrazine)copper(II) acetate acetonitrile solvate, (C₄₈H₅₂Cu₂N₄O₈) (C₂H₃N) is triclinic, P 1, with a = 7.9685(10), b = 13.1893(16), c = 13.8267(17) Å, = 107.585(3)°, = 103.921(3)° and = 96.759(3)°. The structure of (2-(2,6-dimethylphenyl)-6-(3,5-dimethylphenyl)pyrazine)copper(II) acetate, C₄₈H₅₂Cu₂N₄O₈, is monoclinic, P2₁/c, with a = 8.2196(7), b = 12.5174(11), c = 21.7325(19) Å and = 96.201(2)°.     

Synthesis and structural characterization of a novel polymeric gadolinium(III)–copper(II) complex of iminodiacetic acid

A novel polymeric Gd₂Cu₃ complex of iminodiacetic acid (H₂L¹=NH{CH₂COOH}₂), namely, Gd₂Cu₃(L¹)₆, 1, has been synthesized and structurally characterized. In the title complex, the Gd³⁺ ion is nine-coordinated by six O atoms from three bidentate chelating carboxylate groups and three O atoms from three anti-anti bridging carboxylic groups of six L¹ ligands; the Cu²⁺ ion is six-coordinated by four O and two N atoms from two chelating L¹ ligands. Each pair of Gd(III) atoms is bridged by three L¹ ligands, each of which also chelates with one copper(II) ion, thus forming a Gd₂Cu₃ cluster unit. Such cluster units are cross-linked by flexible L¹ ligands into a three-dimensional coordination framework. The title complex crystallizes in the trigonal space group P-3c1 (No. 165) with a = b = 13.433(4), c = 14.770(6) Å; V = 2308(1) ų; D_calca = 1.859 g cm^–3; Z = 2.     

Synthesis and crystal structure of a new two-dimensional chromium(III) network through hydrogen bonds

A new chromium(III) complex, [Cr(ox)(bdmpza)(H₂O)], (ox = oxalate dianion and bdmpza = bis(3,5-dimethylpyrazol-1-yl)acetate, respectively), has been synthesized and characterized by X-ray crystallography. This compound crystallizes in the monoclinic space group P2₁/c, with a = 7.008(3) Å, b = 14.229(5) Å, c = 16.497(7) Å, = 101.588(7)°, V = 1611.5(11) ų, Z = 4. The chromium atom has a distorted octahedral environment with different coordination atoms. Bis(3,5-dimethylpyrazol-1-yl)acetate anion is a tridentate ligand, and the oxalate group acts as a chelating bidentate ligand. This compound also forms an infinite two-dimensional network through O–H O hydrogen bonds. The lengths of the hydrogen bonds are 2.765(5) and 2.733(5) Å, respectively.     

The Structure and Characterization of [1,11-Bis(2-Hydroxybenzyl)-1,4,8,11-Tetraazaundecane]Iron(III) Perchlorate

Abstract  The structure of an Fe(III) complex of reduced Schiff base is reported. The title compound, C₂₁H₃₀ClFeN₄O₆ (I), crystallizes in the monoclinic space group P2₁/n with cell constants: a = 9.988(2) ?, b = 20.430(5) ?, c = 11.415(3) ?, β = 105.480(4)°. It contains a six-coordinate FeN₄O₂ cation where the ligand is a reduced Schiff base resulting from the NaBH₄ reduction of the condensation product between salicylaldehyde and 1,4,8,11-tetraazaundecane. Due to the increased flexibility of the saturated backbone of the ligand compared to the Schiff base from which it was synthesized, the complex adopts a trans-FeN₄O₂ conformation. There is extensive hydrogen bonding between the amine H atoms and the anion O atoms. Index Abstract  The structure of an Fe(III) complex of reduced Schiff base is reported which adopts a trans-FeN₄O₂ conformation where the ligand is a reduced hexadentate Schiff base resulting from the NaBH₄ reduction of the condensation product between salicylaldehyde and 1,4,8,11-tetraazaundecane.      

Tetrahedral site of Fe(III) and Cu(II) in renierite

Renierite from Congo is used in the present investigations. It contains only two transition elements iron and copper. EPR results indicate the presence of Fe(III) and Cu(II) with g values 2.03 and 2.40 respectively. Optical absorption spectrum shows several energies in UV‐Vis and NIR region. These energies indicate both Fe(III) and Cu(II) in tetrahedral site. IR spectrum confirms the presence of sulphate and hydroxyl groups in the mineral. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

面向新世纪的人工晶体

人工晶体是重要的电子、光子材料。本文结合信息技术的进步来考察电子材料、光电子材料和光子材料中人工晶体的发展。在新世纪(太元世纪)的全球信息科技的构架材料中人工晶体仍起着中心作用。     

Synthesis and structural characterization of a novel polymeric praseodymium(III) complex with a new flexible double betaine

A novel polymeric Pr(III) complex with a new double betaine, namely [{Pr(L¹)_1.5(H₂O)₂} _n ][ClOli4]3 _n ·nH₂O (1) (L¹ = 1,4-diazoniobicyclo[2,2,2]octane-1,4-dipropionate), has been synthesized and characterized by X-ray analysis. In the title complex, the Pr(III) atom is nine-coordinated by seven oxygen atoms from five L¹ ligands and two aqua ligands. Each pair of adjacent praseodymium(III) atoms is linked by a pair of ³ chelating and bridging carboxylate groups, thus forming an infinite metal···metal chain running parallel to the a direction, and such chains are cross-linked by flexible backbones of L¹ ligands into a three-dimensional network with the perchlorate anions and lattice water molecules accommodated in the interstitial space. The title complex crystallizes in the monoclinic space group P2₁/n with a = 8.085(2), b = 14.316(3), c = 29.775(6) Å, = 103.04(3)° and Z = 4.     

Crystal structures and mesomorphic properties of Schiff base homologs and derivatives,and magnetic properties of their dimeric and dinuclear copper(II) complexes

Three N₂O₄ Schiff. base homologs, H₂L1 (n = 8), H₂L3 ((n = 9), and H₂L4 (n = 10) were obtained from the reactions of 2-HOC₆H₄CHO with H₂N(CH₂)_8-10NH₂, while a derivative of H₂L1, namely, H₂L2, was obtained from the reaction of 3,5-X₂-2-HOC₆H₂CHO (X = tert-butyl) with H₂N(CH₂)₈NH₂. The Schiff bases H₂L2 (triclinic; P-1), H₂L3 (monoclinic; C2/c), and H₂L4 (monoclinic; P21/c) were single crystals with low melting temperatures (less than 100°C). The homologs exhibited mesomorphisms, while the derivative was not mesomorphic and did not reform crystals from its melt. Copper(II) complexes of H₂L1, H₂L2 and H₂L4 were dimeric, while that of H₂L3 was dinuclear with chelating CH₃COO ligand. These complexes were paramagnetic with insignificant interactions between the copper(II) atoms and have high decomposition temperatures (T_dec = 268–304°C). Their melting temperatures (T_melt = 138.9–190.2°C) were higher than the corresponding Schiff bases, but they were not mesomorphic.     

Synthesis and Characterization of New Phosphorescent Heteroleptic Iridium (III) Complex by Using Tetrazole as an Ancillary Ligand for Organic Light-Emitting Diodes

The yellow emitting tetrazole based heteroleptic iridium(III) complex, bis(diphenylquinoline)iridium(pyridyltetrazole) [(DPQ)₂Ir(PyTz)], was synthesized and conformed by ¹H-,¹³C NMR spectral techniques. The purity was also confirmed by HPLC. The thermal, electrochemical, photophysical and electroluminescent properties were intrinsically investigated. The Ir(III) complex is thermally more stable having thermal decomposition temperature (T_d, 5% weight loss) more than 350°C and it shows very high glass transition temperature T_g-233°C. We have followed the easy and cost effective solution process for (DPQ)₂Ir(PyTz) device fabrication and achieved better performance yellow phosphorescent organic light-emitting diodes (PhOLEDs), maximum external quantum efficiency (EQE) of 5.68%, luminance efficiency 12.63 cd/A, and CIE coordinate of (0.56, 0.43).     

NaY(WO4)2:Sm3+粉末的制备及荧光性能

以柠檬酸三钠为结合剂,采用水热法结合高温烧结两步法制备了一系列NaY_1-x(WO₄)₂:xSm³⁺(x=0、0.005、0.010、0.015、0.020、0.025、0.030)粉末。通过X射线衍射(XRD)、扫描电镜(SEM)、红外光谱(FT-IR)和荧光性能(PL)对粉末的相结构、形貌、成分以及发光性能进行了表征。研究结果表明,所合成粉末为NaY(WO₄)₂的纯相,属四方晶系白钨矿结构,其形貌为3D花形。在405 nm的光激发下,NaY(WO₄)₂:Sm³⁺粉末在600 nm处具有最高的荧光强度,对应于Sm³⁺的⁴G_5/2→⁶H_7/2磁偶极跃迁,观察到橙红光发射,且Sm³⁺最佳掺杂摩尔分数为0.015时,粉末显示出最强的荧光发射强度。