Crystal Structure Of Bis Research Articles

Synthesis and crystal structures of bis(dibenzyl dithiocarbamato)Cu(II) and Ag(I) complexes: Precursors for Cu1.8S and Ag2S nano-photocatalysts

We report the synthesis and crystal structures of bis(dibenzyl dithiocarbamato) copper(II) and silver(I) complexes and their use as precursors to prepare Cu1.8S and Ag2S nanoparticles. Single crystal analysis of bis(dibenzyl dithiocarbamato)Cu(II) complex consist of a monomeric entity where the two dibenzyl dithiocarbamate ligands form a distorted square planar geometry around the Cu(II) ion. The bis(dibenzyl dithiocarbamato)Ag(I) formed hexameric coordination complex consisting of two distorted hexagonal Ag3S3 rings. The complexes were thermolysed at 220 °C to prepare copper sulphide and silver sulphide nanoparticles. Powder X-ray diffraction (p-XRD) patterns of the copper sulphide nanoparticles were indexed to digenite Cu1.8S, while silver sulphide nanoparticles were confirmed to be acathinite Ag2S. High-resolution transmission electron microscopy (HRTEM) images showed Ag2S nanoparticles with particle size in the range 11.4–27.4 nm while Cu1.8S nanoparticles are semi-spherical in shape with slightly agglomerated particles in the range 6.9–24.0 nm. The as-prepared nanoparticles were used as nano-photocatalysts for the degradation of methylene blue dye (MB) under UV light irradiation with degradation efficiency of 42.52% and 48.39% for Cu1.8S and Ag2S nanoparticles respectively.

Crystal structure of bis-(1-mesityl-1H-imidazole-κN 3)di-phenyl-boron tri-fluoro-methane-sulfonate.

The solid-state structure of bis-(1-mesityl-1H-imidazole-κN 3)di-phenyl-boron tri-fluoro-methane-sulfonate, C36H38BN4 +·CF3SO3 - or (Ph2B(MesIm)2OTf), is reported. Bis(1-mesityl-1H-imidazole-κN 3)di-phenyl-boron (Ph2B(MesIm)2 + ) is a bulky ligand that crystallizes in the ortho-rhom-bic space group Pbcn. The asymmetric unit contains one Ph2B(MesIm)2 + cationic ligand and one tri-fluoro-methane-sulfonate anion that balances the positive charge of the ligand. The tetra-hedral geometry around the boron center is distorted as a result of the steric bulk of the phenyl groups. Weak inter-actions, such as π-π stacking are present in the crystal structure.

Synthesis and crystal structure of bis(thiomorpholinyldithiocarbamato) Zn(II): structural, optical, and photocatalytic studies of ZnS nanoparticles from the complex

Bis(thiomorpholinyldithiocarbamato) Zn(II) complex was synthesized and characterized by single crystal X-ray crystallography and spectroscopic techniques. The molecular structure of the compound revealed a dimeric Zn(II) complex in which each Zn(II) ion is bound to one chelating and two bridging thiomorpholine ligands. The compound was thermolyzed at 130 °C in octadecylamine (ODA), hexadecylamine (HDA), and oleylamine (OLA) to prepare ZnS nanoparticles. Powder X-ray diffraction (PXRD) of the ZnS nanoparticles indicates mixtures of hexagonal and cubic crystalline phases depending on thermolysis temperature. HRTEM micrographs showed well-defined nanoparticles with particle size of 3.3–4.8 nm for ODA-ZnS, 2.5–4.2 nm for OLA-ZnS, while HDA-ZnS shows slightly bigger nanoparticles with particle size of 3.3–5.4 nm. Estimated optical band gaps are 3.58 eV for ODA-ZnS, 3.69 eV for HDA-ZnS and 3.72 eV for OLA-ZnS which indicate blue shift of the absorption band edges with respect to bulk ZnS (3.56 eV). The as-prepared ZnS nanoparticles were used as photocatalysts for the degradation of methylene blue dye. The degradation efficiency of the as-prepared ZnS nanoparticles are 58% for ODA-ZnS, 53% for OLA-ZnS, and 43% for HDA-ZnS. ODA-ZnS nanoparticles were used for the recycling test and showed good photostability and recyclability with 57% recovery percentage.

Synthesis and crystal structure of bis(O-methyl hydrogenato carbonodithioate)-Pb(II): structural, optical and photocatalytic studies of PbS nanoparticles from the complex

Lead(II) methyl xanthate [Pb(S2COMe)2] was synthesized and characterized by single crystal X-ray crystallography. The molecular structure showed a distorted tetrahedral geometry around Pb(II) with each monomeric unit linked with another through Pb···S interactions. The compound was used to prepare hexadecylamine capped PbS (HDA-PbS) and oleylamine capped PbS (OLA-PbS) nanoparticles. The PbS nanoparticles were indexed to the cubic PbS crystalline phase with particle sizes of 4.5 – 34.5 nm. The estimated optical bandgaps obtained from the tauc’s plots were 3.47 and 3.30 eV for HDA-PbS and OLA-PbS, respectively, which are blue shifted in comparison to bulk PbS. The photodegradation of methylene blue using PbS as photocatalyst shows that HDA-PbS have the best degradation efficiency of 77.70% after 240 min.

Synthesis and Crystal Structure of Bis(2-phenylpyridine-C,N’)-bis(acetonitrile)iridium(III)hexafluorophosphate Showing Three Anion/Cation Couples in the Asymmetric Unit

The title compound bis(2-phenylpyridine-C,N’)-bis(acetonitrile)iridium(III)hexafluorophosphate, a six-coordinate iridium(III) complex, crystallizes in the P-1 space group. Iridium is in a distorted octahedral (n = 6) coordination with the N,C’ atoms of two phenylpyridine and the N atoms of two acetonitrile ligands. The peculiarity of this structure is that three independent moieties of the title compound and three PF6− anions, to counterbalance the charge, are observed in the asymmetric unit and this is a rather uncommon fact among the Cambridge Crystallographic Database (CSD) entries. The three couples are almost identical conformers with very similar torsional angles. The packing, symmetry, and space group were accurately analyzed and described also by means of Hirshfeld surface analysis, which is able to underline subtle differences among the three anion/cation couples in the asymmetric unit. The driving force of the packing is the clustering of the aromatic rings and the maximization of acetonitrile:PF6− interactions. The asymmetry of the cluster is the cause of the unusual number of moieties in the asymmetric unit.

Crystal structures and hydrogen-bonding analysis of a series of solvated ammonium salts of molybdenum(II) chloride clusters.

Charge-assisted hydrogen bonding plays a significant role in the crystal structures of solvates of ionic com-pounds, especially when the cation or cations are primary ammonium salts. We report the crystal structures of four ammonium salts of molybdenum halide cluster solvates where we observe significant hydrogen bonding between the solvent molecules and cations. The crystal structures of bis-(anilinium) octa-μ3-chlorido-hexa-chlorido-octa-hedro-hexa-molybdate N,N-di--methyl-formamide tetra-solvate, (C6H8N)2[Mo6Cl8Cl6]·4C3H7NO, (I), p-phenyl-enedi-ammonium octa-μ3-chlorido-hexa-chlorido-octa-hedro-hexa-mol-yb-date N,N-di-methyl-formamide hexa-solvate, (C6H10N2)[Mo6Cl8Cl6]·6C3H7NO, (II), N,N'-(1,4-phenyl-ene)bis-(propan-2-iminium) octa-μ3-chlorido-hexa-chlo-rido-octa-hedro-hexa-molybdate acetone tris-olvate, (C12H18N2)[Mo6Cl8Cl6]·3C3H6O, (III), and 1,1'-dimethyl-4,4'-bipyridinium octa-μ3-chlo-rido-hexa-chlorido-octa-hedro-hexa-molybdate N,N-di-methyl-formamide tetra-solvate, (C12H14N2)[Mo6Cl8Cl6]·4C3H7NO, (IV), are reported and described. In (I), the anilinium cations and N,N-di-methyl-formamide (DMF) solvent mol-ecules form a cyclic R 4 2(8) hydrogen-bonded motif centered on a crystallographic inversion center with an additional DMF mol-ecule forming a D(2) inter-action. The p-phenyl-enedi-ammonium cation in (II) forms three D(2) inter-actions between the three N-H bonds and three independent N,N-di-methyl-formamide mol-ecules. The dication in (III) is a protonated Schiff base solvated by acetone mol-ecules. Compound (IV) contains a methyl viologen dication with N,N-di-methyl-formamide mol-ecules forming close contacts with both aromatic and methyl H atoms.

Crystal structure of bis(acridin-10-ium) 2,5-dihydroxyterephthalate — 2,5-dihydroxyterephthalic acid (1/1), C21H15NO6

Abstract C21H15NO6, triclinic, P1̄ (no. 2), a = 9.3591(4) Å, b = 9.4371(5) Å, c = 10.1106(5) Å, α = 102.581(4)°, β = 92.929(4)°, γ = 102.573(4)°, V = 846.09(7) Å3, Z = 2, R gt(F) = 0.0452, wR ref(F 2) = 0.1135, T = 288.7(3) K.

Synthesis and crystal structure of bis(morpholino dithiocarbamato) Cd(II) complex and its use as precursor for CdS quantum dots using different capping agents

ABSTRACTCadmium(II) morpholine dithiocarbamate complex [Cd(morphdtc)2] was synthesized and characterized by single crystal X-ray crystallography. The molecular structure of the complex showed Cd(II) ion in a distorted 4 + 2 octahedral geometry, in which the two morpholine dithiocarbamates act as bidentate chelating and the central Cd ion bond the sulfur atoms of adjacent morpholine acting as bridging ligands to form centrosymmetric five coordinate dimeric molecules. The Cd(II) complex was thermolysed at 180°C to prepare CdS nanoparticles using three different capping agents. The pXRD patterns revealed a mixture of hexagonal and cubic crystalline phases of CdS nanocrystals. TEM images revealed semi-spherical and spherical nanoparticles, with the size range of 4.50–5.70 nm for OLM-CdS, 3.33–5.96 nm for HDA-CdS, and 3.00–5.83 nm for ODA-CdS. The particle size distribution of the CdS nanocrystallite is within the range 1.06 nm (SD ± 0.73) for OLM-CdS, 0.68 nm, (SD ±0.73) for HDA-CdS and 1.18 nm, (SD ± 0.60) for ODA-CdS. The lattice fringes showed that the particles are almost in the same environment with the interplanar of 0.32 nm for OLM-CdS, 0.34 nm for HDA-CdS, and 0.32 nm ODA-CdS. The band gaps energy were confirmed to be 1.59 eV for OLM-CdS, 1.65 eV for HDA-CdS, and 1.62 eV for ODA-CdS nanoparticles, respectively.

Synthesis and Crystal Structure of Bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolato]zinc(II)

Synthesis and Crystal Structure of Bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolato]zinc(II)

Crystal Structure of Bis(μ-hydroxo)diiron(III) Complex with Tripodal Ligands Having a Terminal Carboxylate Group

Crystal Structure of Bis(μ-hydroxo)diiron(III) Complex with Tripodal Ligands Having a Terminal Carboxylate Group

Synthesis and Crystal Structure of Bis(Citrato)Germanate and Stannate with Tris(Phenanthroline)Nickel(II) Cation

Synthesis and Crystal Structure of Bis(Citrato)Germanate and Stannate with Tris(Phenanthroline)Nickel(II) Cation

The crystal structure of bis-{3,5-di-fluoro-2-[4-(2,4,6-tri-methyl-phen-yl)pyridin-2-yl]phen-yl}(picolinato)iridium(III) and its 4-tert-butyl-pyridin-2-yl analogue.

The crystal structures of bis-{3,5-di-fluoro-2-[4-(2,4,6-tri-methyl-phen-yl)pyridin-2-yl]phenyl-κ2 N,C 1}(picolinato-κ2 N,O)iridium(III), [Ir(C20H16F2N)2(C6H4NO2)], 1, and bis-[2-(4-tert-butyl-pyridin-2-yl)-3,5-di-fluoro-phenyl-κ2 N,C 1](picolinato-κ2 N,O)iridium(III), [Ir(C15H14F2N)2(C6H4NO2)], 2, are presented herein. These phospho-rescent cyclo-metallated iridium(III) compounds have been structurally investigated in order to better understand the nature of their blue-shifted emssions while maintaining high quantum yields. Compound 1 exhibits substantial twisting of the mesitylene rings out of the plane of the attached pyridine ring, with dihedral angles of 67.0 (1) and 78.7 (1)° between the best mean planes. For both compounds, the contribution of disordered solvent mol-ecule(s) was removed using the SQUEEZE [Spek (2015 ▸). Acta Cryst. C71, 9-18] routine in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9-18]. These solvent mol-ecules are not considered in the given chemical formula and other crystal data.

Crystal structure of the [(1,3-dimesityl-1H-imidazol-3-ium-2-yl)methano-lato]copper(II) chloride dimer: insertion of formaldehyde into a copper-carbene bond.

The crystal structure of bis-[μ-(1,3-dimesityl-1H-imidazol-3-ium-2-yl)methano-lato-κ2O:O]bis-[di-chlorido-copper(II)], [Cu2Cl4(C22H26N2O)2], is reported. The complex is assumed to have formed via the insertion of formaldehyde into the copper-carbon bond in an N-heterocyclic carbene complex of copper(I) chloride. The structure of the binuclear mol-ecule possesses a crystallographic-ally centrosymmetric Cu2O2 central core with the O atoms bridging between the CuII atoms and thus Z' = 0.5. The copper centres are further ligated by two chloride ligands, resulting in the CuII atoms residing in a distorted square-planar environment. The Cu-O bond lengths are shorter than those previously reported in structures with the same central Cu2O2 motif. The complex displays C-H⋯Cl inter-actions involving the H atoms of the heterocycle backbone and the chloride ligands of a neighbouring mol-ecule.

Crystal structure of bis-(1-ethyl-1H-imidazole-κN3)(5,10,15,20-tetra-phenyl-porphyrinato-κ4N)iron(II) tetra-hydro-furan monosolvate.

The title complex, [Fe(C44H28N4)(C5H8N2)2]·C4H8O, possesses inversion symmetry with the iron(II) atom located on a center of symmetry. The metal atom is coordinated in a symmetric octa-hedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 1-ethyl-imidazole ligands in the axial sites; the complex crystallizes with a tetra-hydro-furan solvent mol-ecule. The average Fe-Np (Np is a porphyrin N atom) bond length is 1.995 (3) Å and the axial Fe-NIm (NIm is an imidazole N atom) bond length is 1.994 (2) Å. The two 1-ethyl-imidazole ligands are mutually parallel. The dihedral angle between the 1-ethyl-imidazole plane and the plane of the closest Fe-Np vector is 24.5°. In the crystal, the only significant inter-molecular inter-actions present are C-H⋯π inter-actions.

Bis(nitrilo)tris(methylenephosphonato)dodecaaquatrihydrohexasodium Europium(III) [EuNa6H3(H2O)12{N(CH2PO3)3}2]: Synthesis and Structure

The crystal structure of bis(nitrilo)tris(methylenephosphonato)dodecaaquatrihydrohexasodium europium(III) [EuNa6H3(H2O)12{N(CH2PO3)3}2] was determined; sp. gr. $$P\bar 1$$ , Z = 2, a = 11.0801(3) A, b = 11.5992(3) A, c = 14.6879(4) A, α = 70.096(3)°, β = 77.730(2)°, γ = 80.452(2)°. The coordination polyhedron of the Eu atom can be described as a distorted dodecadeltahedron (snub disphenoid), with two vertices occupied by nitrogen atoms of two phosphonate ligands and the other six vertices occupied by oxygen atoms of six PO3 groups. The chelate complex contains six five-membered rings Eu–O–P–C–N and six eight-membered rings Eu–O–P–C–N–C–P–O.

Dispersion interactions between neighboring Bi atoms in (BiH3 )2 and Te(BiR2 )2.

Triggered by the observation of a short Bi⋯Bi distance and a BiTeBi bond angle of only 86.6° in the crystal structure of bis(diethylbismuthanyl)tellurane quantum chemical computations on interactions between neighboring Bi atoms in Te(BiR2 )2 molecules (R = H, Me, Et) and in (BiH3 )2 were undertaken. Bi⋯Bi distances atoms were found to significantly shorten upon inclusion of the d shells of the heavy metal atoms into the electron correlation treatment, and it was confirmed that interaction energies from spin component-scaled second-order Møller-Plesset theory (SCS-MP2) agree well with coupled-cluster singles and doubles theory including perturbative triples (CCSD(T)). Density functional theory-based symmetry-adapted perturbation theory (DFT-SAPT) was used to study the anisotropy of the interplay of dispersion attraction and steric repulsion between the Bi atoms. Finally, geometries and relative stabilities of syn-syn and syn-anti conformers of Te(BiR2 )2 (R = H, Me, Et) and interconversion barriers between them were computed. © 2018 Wiley Periodicals, Inc.

Synthesis and Crystal Structure of Bis[2-(2-imidazolinyl)phenolato]copper(II)

Synthesis and Crystal Structure of Bis[2-(2-imidazolinyl)phenolato]copper(II)

Synthesis, characterization, crystal structure of bis(phenanthroline)oxalatonickel(II) pentahydrate

Synthesis, characterization, crystal structure of bis(phenanthroline)oxalatonickel(II) pentahydrate

Crystal structure of bis-{1-phenyl-3-methyl-4-[(quinolin-3-yl)imino-methyl-κN]-1H-pyrazol-5-olato-κO}zinc methanol 2.5-solvate from synchrotron X-ray diffraction.

The title compound, [Zn(C20H15N4O)2]·2.5CH3OH, I, was synthesized via the reaction of zinc acetate with the respective ligand and isolated as a methanol solvate, i.e., as I·2.5CH3OH. The crystal structure is triclinic (space group P-1), with two complex mol-ecules ( A and B ) and five methanol solvent mol-ecules in the asymmetric unit. One of the five methanol solvent mol-ecules is disordered over two sets of sites, with an occupancy ratio of 0.75:0.25. Mol-ecules A and B are conformers and distinguished by the conformations of the bidentate 1-phenyl-3-methyl-4-[(quinolin-3-yl)imino-meth-yl]-1H-pyrazol-5-olate ligands. In both mol-ecules, the zinc cations have distorted tetra-hedral coordination spheres, binding the monoanionic ligands through the pyrazolo-late O and imine N atoms. The two ligands adopt slightly different conformations in terms of the orientation of the terminal phenyl and quinoline substituents with respect to the central pyrazolo-late moiety. The mol-ecular geometries of A and B are supported by intra-molecular C-H⋯O and C-H⋯N hydrogen bonds. In the crystal of I, mol-ecules form dimers both by secondary inter-molecular Zn⋯O [3.140 (2)-3.553 (3) Å] and π-π stacking inter-actions. The dimers are linked by inter-molecular hydrogen bonds through the solvent methanol mol-ecules into a three-dimensional network.

The Crystal Structure of Bis(diethylammonium) Hexachloridoplumbate(IV) Derived From Powder Diffraction Data and its Relation to Structurally Related Hexachloridometallate Salts

The Crystal Structure of Bis(diethylammonium) Hexachloridoplumbate(IV) Derived From Powder Diffraction Data and its Relation to Structurally Related Hexachloridometallate Salts