Wyniki wyszukiwania dla: crystal engineering
-
Interplay between Aryl···Perfluoroaryl and Hydrogen Bonding Interactions in Cocrystals of Pentafluorophenol with Molecules of Trigonal Symmetry
PublikacjaCocrystals of seven star-shaped triaryl compounds with pentafluorophenol (pfp) were prepared and structurally characterized by the single-crystal X-ray diffraction method. Cocrystallization of pfp with planar (or almost planar) compounds gave six 3:1 molecular complexes with well-defined layered structures. The layers are composed of alternating pfp3 trimers, linked by hydrogen bonding, and triaryl molecules held together in planes...
-
Metal ion directed template synthesis using 2-acetyl-1,3-indandione and ethylenediamine: steric and electronic restrictions
PublikacjaA template synthesis using 2-acetyl-1,3-indandione and ethylenediamine results in formation of octahedral Ni complex, whose crystal structure has been resolved using single crystal X-ray diffraction. The structure indicates that only exocyclic enolic oxygen atom of the triketone takes part in the condensation with ethylenediamine.
-
Crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one
PublikacjaThe synthesis and crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one, C16H12O3,I, and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one,C22H16O3,II, are reported. These compounds are of interest with respect to biological activity. Both structures display intermolecular C—H---O and O—H---O hydrogen bonding, forming layers in the crystal lattice. The crystal structure of compound I is consolidated...
-
Pt-rich intermetallic APt8P2 (A = Ca and La)
PublikacjaThe combination of experimental and theoretical investigation of two new Pt-rich intermetallic compounds: APt8P2 (A = Ca and La) is presented, including solid-state synthesis, crystal structure determination, physical properties characterization and chemical bonding analysis. APt8P2 was obtained through the high-temperature pellet synthesis. According to both single crystal and powder X-ray diffraction results, APt8P2 crystallize...
-
Damian Rosiak dr inż.
OsobyWykształcenie Studia I stopnia - inżynierskie, kierunek BIOTECHNOLOGIATytuł pracy inżynierskiej: "Reakcja halogenków rtęci(II) z wybranymi N-benzoilotiomocznikami i charakterystyka strukturalna jej produktów"Promotor: prof. dr hab. inż. Barbara Becker, prof. zw. PG Studia II stopnia - magisterskie, kierunek BIOTECHNOLOGIATytuł pracy magisterskiej: "Reakcje halogenków rtęci(II) z wybranymi tiomocznikami i charakterystyka produktów"Praca...
-
Effect of different crystalline structures on W/O and O/W/O wax emulsion stability
PublikacjatThe possibility of emulsion stabilization using mineral and vegetable wax particles only (without sur-factant) was investigated. Mineral waxes, paraffin wax and ceresin, and a vegetable wax, carnauba wax,were used. The content of the wax particles and the water to oil proportion were found crucial for thestability of all emulsions. Some emulsions were also produced with a liquid wax (i.e. jojoba oil). Themultiple light scattering...
-
Modulated crystal structures - periodicity in more than three dimensions
PublikacjaThe initial definition of a crystal was that it is an object with flat faces. When diffraction studies were developed it turned out that crystal consists of a highly ordered particles and it is possible to isolate a small unique part of their structure - a unit cell - and the definition has been changed to rely on this fact. Nowadays by a crystal we mean any solid having an essentially discrete diffraction diagram. It is because...
-
Imaging polarimeter with high-accuracy measuring principles in crystal optics
PublikacjaAn imaging polarimeter based on the principles of high-accuracy polarimetry well known in crystal optics is proposed. The application of scientific digital cameras for performance light measurements leads to precise data on polarizers quality, i.e., maps of extinction ratio and transmission axis. Processing of numerous images, acquired at various settings in the polarizer-sample-analyser system, allows to determine the two-dimensional...
-
Utilization of oriented crystal growth for screening of aromatic carboxylic acids cocrystallization with urea
PublikacjaThe possibility of molecular complex formation in the solid state of urea with benzoic acid analogues was measured directly on the crystallite films deposited on the glass surface using powder X-ray diffractometry (PXRD). Obtained solid mixtures were also analyzed using Fourier transform infrared spectroscopy (FTIR). The simple droplet evaporation method was found to be efficient, robust, fast and cost-preserving approach for first...
-
On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method
PublikacjaCrystal growth behavior of benzoic acid crystals on different surfaces was examined. The performed experiments documented the existence of very strong influence introduced by polar surfaces as glass, gelatin, and polyvinyl alcohol (PVA) on the growth of benzoic acid crystals. These surfaces impose strong orientation effect resulting in a dramatic reduction of number of faces seen with x-ray powder diffractions (XPRD). However,...
-
On the origin of surfaces-dependent growth of benzoic acid crystal inferred through the droplet evaporation method
PublikacjaCrystal growth behavior of benzoic acid crystals on different surfaces was examined. The performed experiments documented the existence of very strong influence introduced by polar surfaces as glass, gelatin, and polyvinyl alcohol (PVA) on the growth of benzoic acid crystals. These surfaces impose strong orientation effect resulting in a dramatic reduction of number of faces seen with x-ray powder diffractions (XPRD). However,...
-
Crystal structure and electronic structure of CePt2In7
PublikacjaWe report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt–In stacking along the c-direction in this layered material than was previously reported. In addition, all of the atomic sites are fully occupied with no evidence of atom site mixing, resolving a discrepancy between the observed high resistivity ratio of...
-
High-accuracy polarimetric studies on lead germanate single crystals
PublikacjaA high-accuracy polarimetric technique has been used for the characterization of a lead germanate ferroelectric single crystal. The measurement results of the linear and circular birefringence in the [010] direction at a wavelength of 633 nm under the influence of an electric field are presented. Gyration–electric field hysteresis loops at alternative crystal positions in the polarization system have been used to determine the...
-
Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2
PublikacjaThe single-crystal growth, crystal structure, heat capacity, and anisotropic magnetization characterization of Rb3Yb- (PO4)2, a Yb-based triangular lattice material, are presented. Single-crystal X-ray diffraction shows that Rb3Yb(PO4)2 exhibits [Yb(PO4)]∞ layers, with the Yb in an ordered plane of equilateral triangles. One phosphate group oxygen that is not a near neighbor of the magnetic Yb displays positional disorder. The...
-
Dual-wavelength laser polarimeter and its performance capabilities
PublikacjaA dual-wavelength optical polarimetric approach has been proposed as a means of elimination of the systematic errors and estimation of the optical anisotropy parameters for a single DKDP crystal. Our HAUP-related polarimeter uses two semiconductor lasers with the neighbouring wavelengths of 635 nm and 650 nm. Based on the temperature dependence analysis of small characteristic azimuths of light polarization with respect to the...
-
Dual-wavelength polarimeter application in investigations of the optical activity of a langasite crystal
PublikacjaA method of high accuracy polarimetry, which includes optical activity measurements systematic errors, was realized with dual-wavelength polarimeter for two wavelengths of 635 and 650 nm. Simultaneous measurements with neighboring wavelengths significantly improved the data processing, by increasing the amount of data to eliminate the systematic errors. For langasite crystal La3Ga5SiO14 we measured temperature dependence of the...
-
Novel 1,2,3-Triazole Derivatives as Mimics of Steroidal System—Synthesis, Crystal Structures Determination, Hirshfeld Surfaces Analysis and Molecular Docking
PublikacjaHerein, we present the synthesis and crystal structures determination of five 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives containing halogen atoms, 6a–e, which may be used as an excellent mimic of steroids in the drug development process. Good quality crystals obtained for all of the synthesized compounds allowed the analysis of their molecular structures. Subsequently, the determined crystal structures were used to calculate...
-
Three-dimensional Weyl topology in one-dimensional photonic structures
PublikacjaTopological features, in particular distinct band intersections known as nodal rings, usually requiring three-dimensional structures, have now been demonstrated experimentally in an elegantly simple one-dimensional photonic crystal.
-
Hydrothermal reactions: From the synthesis of ligand to new lanthanide 3D-coordination polymers
PublikacjaThe organic ligand 2,5-piperazinedione-1,4-diaceticacid (H2PDA) was synthesized under hydrothermal conditions starting from the iminodiacetic acid and catalyzed by oxalic acid. The X-ray powder diffraction data indicates that the compound crystallizes in the P21/c space group as reported in the literature. The ligand was also characterized by elemental analysis, magnetic nuclear resonance, infrared spectroscopy and thermogravimetric...
-
Computational Study of Molecular Interactions in ZnCl2(urea)2 Crystals as Precursors for Deep Eutectic Solvents
PublikacjaDeep eutectic solvents (DESs) are now enjoying an increased scientific interest due to their interesting properties and growing range of possible applications. Computational methods are at the forefront of deciphering their structure and dynamics. Type IV DESs, composed of metal chloride and a hydrogen bond donor, are among the less studied systems when it comes to their understanding at a molecular level. An important example...
-
Anion-π Architectures of HAT(CN)6 and 5d Polycyanidometalates: [W(CN)8]3–, [Re(CN)7]3–, and [Pt(CN)6]2–
Publikacja -
Binary and Ternary Core–Shell Crystals of Polynuclear Coordination Clusters via Epitaxial Growth
Publikacja -
Cyanido-Bridged Clusters with Remote N-Oxide Groups for Branched Multimetallic Systems
Publikacja -
Two-dimensional thermoluminescence method for checking LiF crystals homogeneity
Publikacja -
Cyclic Dipeptides as Building Units of Nano- and Microdevices: Synthesis, Properties, and Structural Studies
Publikacja -
Application of Multivariate Adaptive Regression Splines (MARSplines) Methodology for Screening of Dicarboxylic Acids Cocrystal Using 1D and 2D Molecular Descriptors
PublikacjaDicarboxylic acids (DiAs) are probably one of the most popular cocrystals formers. Due to the high hydrophilicity and non-toxicity, they are promising solubilizes of active pharmaceutical ingredients (APIs). Although DiAs appear to be highly capable of forming multicomponent crystals with various compounds, some systems reported in the literature are physical mixtures the solid state without forming stable intermolecular complex....
-
Distinguishing of cocrystals from simple eutectic mixtures: phenolic acids as potential pharmaceutical coformers
PublikacjaThe multiparameter model comprising 1D and 2D QSPR/QSAR descriptors was proposed and validated for phenolic acid binary systems. This approach is based on the optimization of regression coefficients for maximization of the percentage of true positives in the pool of systems comprising either simple binary eutectics or cocrystals. The training set consisted of 58 eutectics and 168 cocrystals. The solid dispersions collection used...
-
Applicability of phenolic acids as effective enhancers of cocrystals solubility of methylxanthines
PublikacjaApplicability of phenolic acids as potential cocrystal formers for methylxanthine derivatives was analyzed both in terms of cocrystallization probabilities and solubility advantage. The cocrystal formation abilities were evaluated using mixing enthalpy estimated within the conductor like screening model for real solvents (COSMO-RS) framework. The solubility improvement of potential cocrystals was estimated by formulation of the...
-
Most Frequent Organic Interactions Compressed in Toluene
Publikacja -
Imidazole Hidden Polar Phase
Publikacja -
Supramolecular Synthesis Based on a Combination of Se···N Secondary Bonding Interactions with Hydrogen and Halogen Bonds
PublikacjaExamination of the solid state structures of 2,1,3-benzoselenadiazole complexes with hydrogen or halogen bond donors has demonstrated that the 2,1,3-benzoselenadiazole molecules preferably form centrosymmetric dimers with use of [Se–N]2 supramolecular synthon, whereas the two remaining nitrogen atoms not involved in the [Se–N]2 supramolecular interactions can act as acceptors of hydrogen or halogen bonds. Cocrystallization of selenadiazoles...
-
Effect of some organic solvent - water mixtures composion on precipitated calcium carbonate in carbonation process
PublikacjaPrecipitated calcium carbonate particles were obtained during carbonation of calcium hydroxide slurry with carbon dioxide. Aqueous solutions of isopropyl alcohol, n-butanol and glycerol were used as solvents. Concentration of organic additives in the reactive mixture was from 0 to 20 % (vol.). Precipitation process were performed in a stirred tank reactor equipped with gas distributor. Multimodal courses of particles size distribution...
-
Nanostructure characterization of (SmS)1.19TaS2 by means of STM/STS
PublikacjaW publikacji przedstawiono badania za pomocą techniki STM i STS powierzchni kryształów warstwowego związki typu misfit(SmS)1.19TaS2. Badania pozwalają sądzić, że powierzchniową warstwą jest warstwa Sm-S.
-
Influence of ethylene glycol on CaCO3 particles formation via carbonation in the gas-slurry system
PublikacjaStrącanie węgalnu wapnia przebiegało w układzie gaz-zawiesina w reakcji wodorotlenku wapnia z dwutlenkiem węgla. Proces precypitacji był prowadzony w obecności glikolu etylenowego. Użyty dodatek organiczny zmieniał lepkość mieszaniny reakcyjnej oraz rozpuszczalność dwutlenku węgla i węgalnu wapnia, co miało wpływ na warunki precypitacji CaCO3. Wzrost stężnia glikolu etylenowego w mieszaninie reakcyjnej powodował większe zużycie...
-
Crystal growth of CsCl-type Yb0.24Sn0.76Ru
PublikacjaWzrost kryształów o stechiometrii Yb0.24Sn0.76Ru został przeprowadzony metodą topnikową. Kryształy poddano badaniom dyfrakcyjnym a także mikroskopii elektornowej. Yb0.24Sn0.76Ru krystalizuje w sześciennej strukturze typu chlorku cezu (CsCl).
-
Nano - and microcrystals of doped niobates
PublikacjaPublikacja przedstawia wyniki analizy pomiarów wysokotemperaturowej rentgenografii strukturalnej niobanu lantanu domieszkowanego magnezem.
-
Synthesis of acceptor-doped Ba-Ce-Zr-O perovskites
PublikacjaPublikacja przedstawia wyniki badań stukturalnych i elektrycznych domieszkowanego akceptorow cerianu baru.
-
Controlling the size and morphology of precipitated calcite particles by the selection of solvent composition
PublikacjaCalcium carbonate particles were obtained in the reaction of calcium hydroxide with carbon dioxide at 65°C. Initial Ca(OH)2 suspensions were prepared in pure water and aqueous solutions of ethylene glycol or glycerol of the concentration range up to 20% (vol.). The course of reaction was monitored by conductivity measurements. Precipitated solids were analyzed by FTIR, XRD, SEM and the particles size distribution was determined...
-
Synthesis and characterization of colloidal gallium selenide nanowires
Publikacja -
Average Structure, Local Structure, Photoluminescence, and NLO Properties of Scheelite Type NaCe(WO4)2
Publikacja -
Crystal growth of CsCl-type Yb0.24Sn0.76Ru
Publikacja -
Analysis of the interfacial energy of GaAs-Si hetrostructures
PublikacjaPrzeprowadzono obliczenia numeryczne energii powierzchni heterogranicy GaAs-Si z zastosowaniem półempirycznego modelu czteroparametrycznego Acklanda. Pokazano zależność energii heterogranicy od orientacji podłoża Si. Minima energetyczne otrzymano dla orientacji Si równych (011), (133), (112) i (113) co wskazuje ich zastosowanie do epitaksjalnego wzrostu warstw GaAs.
-
The contribution of Hans von Wartenberg to the development of the Czochralski method
PublikacjaThe contribution of Hans von Wartenberg to the development of the Czochralski Method for pulling single crystals is often overlooked. He was its earliest adopter, having introduced the use of seed crystals, and his detailed description of the method was the basis for its subsequent dissemination.
-
Structure of EstA esterase from psychrotrophic Pseudoalteromonas sp. 643A covalently inhibited by monoethylphosphonate.
PublikacjaThe crystal structure of the esterase EstA from the cold-adapted bacteriumPseudoalteromonas sp. 643A was determined in a covalently inhibited form at aresolution of 1.35 A˚. The enzyme has a typical SGNH hydrolase structureconsisting of a single domain containing a five-stranded beta-sheet, with threehelices at the convex side and two helices at the concave side of the sheet, and isornamented with a couple of very short helices...
-
New heterometallic Co/Zn, Ag/Co, and Ag/Zn imidazolates: structural characterization and catalytic activity in the oxidation of organic compounds
PublikacjaNanocrystalline powders of monometallic and bimetallic imidazolates of Co, Zn, and Ag were produced by a reaction carried out in water. The powders were characterized by powder X-ray diffraction and the crystal structures of new compounds Ag2ZnIm4 and Ag2CoIm4 (Im = imidazolate) were solved. Heterometallic Co/Zn imidazolates showed the standard ZIF-8 crystal structure while Ag/Zn and Ag/Co systems were isostructural with the copper...
-
Mononuclear sodium(I) and copper(I) silanethiolates
PublikacjaStericallyencumberedligand(ArO) 3 SiS − , where Ar = 2,6-diisopropylphenyl, was employed for the synthesisof a dicoordinate copper(I) complex. The ligand creates a very hydrophobic environment around the metal center as indicated by the crystal structures and FT-IR spectroscopy.
-
Structural studies of a cold-adapted dimeric Beta-D-galactosidase from Paracoccus sp. 32d
PublikacjaThe crystal structure of a novel dimeric [beta]-D-galactosidase from Paracoccus sp. 32d (Par[beta]DG) was solved in space group P212121 at a resolution of 2.4 Å by molecular replacement with multiple models using the BALBES software. This enzyme belongs to glycoside hydrolase family 2 (GH2), similar to the tetrameric and hexameric [beta]-D-galactosidases from Escherichia coli and Arthrobacter sp. C2-2, respectively. It is the second...
-
Synthesis and properties of HoT2Al20 (T = Ti, V, Cr) intermetallic cage compounds
PublikacjaPolycrystalline samples of HoT2Al20 (T = Ti, V, Cr) intermetallics were synthesized using a step-wise arc-melting technique. All three compounds adopt the CeCr2Al20-type crystal structure with Ho atoms positioned inside oversized icosahedral cages formed by Al atoms. The structure of HoV2Al20 compound is reported. The materials properties were studied by means of electrical resistivity, magnetic susceptibility, and specific heat...
-
Catena-Poly[{[mu]-[eta]5:[eta]5-1-[2-(dimethylamino)ethyl-[kappa]N]cyclopentadienyl}-lithium(I)-([mu]-1,1,3,3-tetra-tert-butyltriphosphane-[kappa]3P2:P1,P3)lithium(I)]
PublikacjaThe title compound, [Li2(C9H14N)(C16H36P3)]n, is a by-product of the reaction of [Cp(C5H4CH2CH2NMe2)ZrCl2]n with tBu2P-P(SiMe3)Li in toluene. It is a coordination polymer composed of infinite chains running along [010]. One Li(I) atom is chelated by the cyclopentadienyl ring and and the N atom of the scorpionate ligand and a P atom, whereas the other Li(I) atom is coordinated by the backside of the cyclopentadienyl ring and two...
-
Intermetallic disordered magnet Gd2Pt1.1Ge2.9 and its relation to other AlB2 -type compounds
PublikacjaThe intermetallic germanide Gd 2 Pt 1.1 Ge 2.9 was synthesized using an arc-melting method. The crystal structure was characterized using powder x-ray diffraction, revealing a disordered ternary AlB 2 -type structure (space group P 6 / m m m , No. 191) with lattice parameters a = 4.2092 ( 1 ) Å and c = 4.0546 ( 2 ) Å . Physical properties were investigated by magnetic susceptibility and heat capacity measurements, which...