Search results for: crystal
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<i>catena</i>-Poly[[[bis(thiourea-κS)cadmium]-di-μ-thiocyanato-κ<sup>2</sup>N:S;κ<sup>2</sup>S:N] dihydrate]
PublicationTytułowy związek tworzy jednowymiarowy łańcuch na skutek występowania mostkujących grup SCN pomiędzy atomami kadmu. Atomy kadmu obsadzają krystalograficzne środki symetrii i są koordynowane oktaedrycznie (zdeformowany oktaedr) przez 2 atomy S i 2 atomy N z mostkujących ligandow SCN oraz przez 2 atomy S z dwóch cząsteczek tiomocznika. Upakowanie jest wspomagane przez dodatkowe wiązania międzycząsteczkowe OH...S, NH...O i NH...N....
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<i>N,N,N</i>-Trimethyl-N-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-D-ribofuranosid-5- yl)ammonium 4-methylbenzenesulfonate sesquihydrate.
PublicationThe structure of the title compound, [C12H24NO4][C7H7O3S]·1.5H2O, contains alternating layers parallel to (001) of hydrophobic and polar character, stabilized by C-H...O hydrogen bonding. The furan ring adopts an envelope conformation with the C(OMe) atom as the flap, and the dioxolane ring is twisted about one of the O-C(methine) bonds. A comparison to related compounds is presented. The tosylate-O atoms were disordered over two...
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Trans-Dichloridobis(triisopropylphosphine-kP)palladium(II)
PublicationThe title compound, [PdCl2(C9H21P)2], is a centrosymmetric mononuclear palladium(II) complex. The PdII atom, which lies on an inversion center, is in a square-planar geometry.
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Bis(diethylamido-[kappa]N)(diethylamine-[kappa]N)bis(2,6-diisopropylphenylamido-[kappa]N)zirconium(IV)
PublicationIn the title compound, [Zr(C12H18N)2(C4H10N)2(C4H11N)] or [Zr(HNC6H3iPr2)2(NEt2)2(HNEt2)], which was obtained by the reaction of Zr(NEt)4 with iPr2C6H3NH2, the Zr IV atom is in a trigonal–bipiramidal geometry in which the N atoms from two iPr2C6H3NH and one NEt2 ligand occupy the equatorial positions, and the N atoms of an NEt2 and an Et2NH ligand occupy the apical positions. An intramolecular N—HN contact occurs. There are two...
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Bis(tetra-n-butylammonium) tetrabromocadmate(II) toluene disolvate
PublicationW pracy opisano strukturę tetrabromokadmianu tetrabutyloamoniowego będącego solwatem toluenowym. W kompleksowym anionie tego związku atom kadmu jest koordynowany przez cztery jony bromkowe tak, że cały układ przyjmuje kształt tetraedru z wszystkimi kątami Br-Cd-Br równymi 109.8o. Długość wiązania Cd-Br wynosząca 2.591Å jest typowa dla układów zawierających jako anion [CdBr4]2-.
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Triaquabis(tri-tert-butoxysilanethiolato)barium
PublicationReakcja metalicznego baru z tri-tert-butoksysilanotiolem w obecności śladów wody daje [Ba(C12H27O3SSi)2(H2O)3]. Atom baru koordynowany jest przez dwie reszty silanotiolanowe w sposób chelatujący (jako O,S-ligandy) oraz przez atomy tlenu z trzech cząsteczek wody, tworząc międzycząsteczkową sieć wiązań wodorowych typu O--H...O i O--H...S.
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Chlorido(η5-cyclopentadienyl)- [(4a,4b,8a,9,9a-η)-fluorenyl](fluorenylκC9)zirconium(IV) toluene solvate
PublicationTematem publikacji jest kompleks zyrkonu z ligandami fluorenylowymi. Otrzymany związek uzyskano w postaci monokrystalicznej i przy pomocy rentgenowskiej analizy strukturalnej wyznaczono strukturę tego związku.
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2,4-Bis[bis(diisopropylamino)phosphanyl]-1,2,3,4-tetraphosphabicyclo[1.1.0]butane
PublicationTytułowy związek przybiera strukturę motylkową. Atomy azotu mają płaską geometrię, a atomy fosforu piramidalną.
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Małgorzata Szczerska prof. dr hab. inż.
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Leszek Ziemczonek dr
PeopleUniversity education 1973-1978 – Nicolaus Copernicus University in Toruń, University of Gdańsk in Gdańsk, Mathematical Physics, M. Sc. 1979 – Diploma of Postgraduate Studies, Pedagogics 1989 – Institute of Physics, Polish Academy of Sciences in Warsaw, Theoretical Physics, Ph. D. 2010-2012 – Diploma of Postgraduate Studies, Mathematics Training: · 09.1983 – Trieste (Italy) – International Centre for Theoretical Physics...
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Katarzyna Merkel dr hab.
PeopleOver the past 15 years, my work has mainly been related to the study of liquid crystal compounds with a diverse structure (discotic, dendrimeric, banana, bimedogenic, uniaxial and biaxial nematics and smectics) as well as polymeric materials (biopolymers, nano-composites) and biological materials. My work concerned mainly the issues of organization, observation of orientation effects, studying the dynamics of molecular processes...
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Dual-wavelength laser polarimeter and its performance capabilities
PublicationA 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...
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X-ray diffraction (XRD) of bulk boron and borophene flakes after the ball-milling process at different operating parameters
Open Research DataThese data include X-ray diffraction patterns of bulk boron and borophene obtained during ball milling at different rotation speeds, time and mass loadings. The data were collected to investigate the crystal structure of the studied materials.
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Wykorzystanie wiązań niekowalencyjnych do otrzymywania jedno- i dwuskładnikowych struktur supramolekularnych
PublicationPrzedstawiona rozprawa doktorska dotyczy badań nad wykorzystaniem oddziaływań międzycząsteczkowych do projektowania i syntezy uporządkowanych struktur krystalicznych, ze szczególnym uwzględnieniem wiązań halogenowych i chalkogenowych jako stosunkowo nowych i bardzo atrakcyjnych z punktu widzenia inżynierii kryształu. Praca podzielona jest na kilka części. Pierwsza z nich stanowi wstęp teoretyczny obejmujący opis, założenia oraz...
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Profesor Jan Czochralski – historia najwybitniejszego polskiego inżyniera
PublicationHistoria odkrycia metody wzrostu kryształów
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Jarosław Chojnacki prof. dr hab. inż.
PeopleBorn in 1961 in Bydgoszcz, professional education started at the Chemical Technical Highschool (I. Łukasiewicz). He graduated from the Faculty of Chemistry at the Gdańsk University of Technology in 1986, defending the work on ion-selective electrodes. Subsequent studies were related to organic and siliconorganic synthesis and, from 2002 year on, to crystallography. The doctoral thesis concerned the Silanotiolanes of coinage metals...
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Wojciech Sadowski prof. dr hab. inż.
PeopleWojciech Sadowski (born 2 February 1954 in Ostaszewo, Poland), scientist, engineer, professor at Gdansk University of Technology, specialist in solid state body physics, nanotechnology, optoelectronics. In 1973 he completed his high school education at High School Nicolaus Copernicus in Chelmno. In 1979 he graduate from Leningrad Electrotechnical Institute in Russia (former Soviet Union) with specialism in dielectrics and semiconductors....
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The luminescence study of Ga2–x(Al0.68In0.32)xO3:Cr3+ coumpounds.
Open Research DataNear-infrared (NIR) phosphor-converted light-emitting diodes (pc-LEDs) are a highly efficient perspective NIR light source, with application hindered by a narrow emission band. In this work, we broaden the emission of a new series of NIR phosphors by controlling crystal structure disorder through cation cosubstitution. By substituting Ga3+ with (Al0.68In0.32)3+,...
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Metal ion directed template synthesis using 2-acetyl-1,3-indandione and ethylenediamine: steric and electronic restrictions
PublicationA 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.
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Pt-rich intermetallic APt8P2 (A = Ca and La)
PublicationThe 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...
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Analiza oddziaływań w kryształach związków zawierających w strukturze pierścień pirydynowy
PublicationMożliwość tworzenia się wiązań wodorowych jest kluczowym parametrem z punktu widzenia inżynierii kryształu, ponieważ wiązania wodorowe mają bezpośredni wpływ na strukturę oraz trwałość sieci krystalicznej. Głównym celem niniejszej rozprawy doktorskiej była analiza porównawcza wiązań wodorowych występujących w układach, zawierających w strukturze pierścień pirydynowy. Badane układy podzielono na: (1) układy ze związkami krzemosiarkowymi...
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LattE- first-principles lattice energy calculations
PublicationCrystal engineering is currently attracting much interest. Its aim is to create materials of predefined properties fulfilling the requirements imposed by the applications. There are several parameters describing crystal structures, but the most important one is probably the energy of a crystal lattice. It is the energy released by the system when crystalline solid is formed out of molecules or ions in gaseous phase. Approximate...
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SEM images of dewetted gold films
Open Research DataGold nanostructures were prepared on silicon - Si(111) as a substrate. as a result of dewetting process. Thin golds films were deposited using a table-top dc magnetron sputtering coater under pure Ar plasma conditions . The Au target had 99.99% purity, the rate of Au layer deposition was about 0.4 nm·s−1 and the incident power was 32 W. The thickness...
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Oxidation of silver nanostructures
Open Research DataSilver nanostructures were prepared on Si substrate. Thin Ag films (2 and 6 nm thickness) were deposited using a tabletop dc magnetron sputtering coater (EM SCD 500, Leica) in pure Ar plasma. The Ag target was of 99.99% purity, the rate of layer deposition was about 0.4 nm·s−1 , and the incident power was in the range of 30–40 W. The layer thickness...
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Structural investigations of the LTO:Cu thin films
Open Research DataLithium titanate (Li1+xTi2-xO4) doped with Cu2+ ions was synthesized by sol-gel processing method. The structure was characterized by X-ray Diffraction (XRD). All samples revealed presence of LTO spinel phase. X-ray pattern of undoped LTO was free of any impurities and other crystal phases. Similarly, samples with low amount of copper dopant (x = 0.05...
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The scanning tunnelling micrographs of highly oriented pyrolytic graphite
Open Research DataThe dataset contains the results imaging of a sample of highly oriented pyrolytic graphite obtained using scanning tunneling microscopy. The above variant of scanning probe microscopy is one of the most convenient research techniques at atomic scales. The file contains images corresponding to increasing magnifications from the 1 um scale to a few nanometers....
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Comparison of XPS spectra of Ag3d for silver nanostructures and bulk material
Open Research DataAg nanostructures were prepared on borosilicate glass (Corning 1737F) and Si substrates. In both cases, the substrateswere cleaned with acetylacetone and then rinsed in ethanol. Thin Ag films (2 and 6 nm thickness) were deposited using a tabletop dc magnetron sputtering coater (EM SCD 500, Leica) in pure Ar plasma (argon, Air Products 99.999%). The...
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Investigation of plasmon resonance in a silver nanoparticles
Open Research DataSilver nanostructures were prepared on borosilicate glass (Corning 1737F) substrates. Thin Ag films (1–9 nm thickness) were deposited using a table-top dc magnetron sputtering coater (EM SCD 500, Leica) in pure Ar plasma (argon, Air Products 99.999%). The Ag target was of 99.99% purity, the rate of layer deposition was about 0.4 nm·s−1, and the incident...
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SEM images of tge gold nanostructures on silicon
Open Research DataAu nanostructures were prepared on Si(111) as a substrate. The substrates (1 × 1 cm2 of area) were cleaned with acetylacetone and then rinsed in ethanol. Thin Au films (with thicknesses in a range of 1.7–5.0 nm) were deposited using a table-top dc magnetron sputtering coater (EM SCD 500, Leica) under pure Ar plasma conditions (Argon, Air Products 99.999%)....
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Three-dimensional Weyl topology in one-dimensional photonic structures
PublicationTopological 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.
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Hydrothermal reactions: From the synthesis of ligand to new lanthanide 3D-coordination polymers
PublicationThe 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...
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New heterometallic Co/Zn, Ag/Co, and Ag/Zn imidazolates: structural characterization and catalytic activity in the oxidation of organic compounds
PublicationNanocrystalline 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...
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Mononuclear sodium(I) and copper(I) silanethiolates
PublicationStericallyencumberedligand(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.
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Engineering TADF, Mechanochromism, and Second Harmonic Up- conversion Properties in Regioisomeric Substitution Space
PublicationThis research article explores the distinct TADF efficiency of three donor-acceptor based regio-isomers: DPAOCN (ortho- isomer), DPAMCN (meta-isomer), and DPAPCN (para-isomer). DPAPCN exhibits maximum TADF efficiency in both solution and solid-state with an impressive reverse inter-system crossing (RISC) rate of ~ 106 s-1; the underlying cause being the minimum singlet-triplet splitting energy or ∆EST and maximum SOC (spin-orbit...
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Formation of gold anostructures detected by SEM microscope
Open Research DataGold nanostructures were prepared on silicon - Si(111) as a substrate. The substrates (1 × 1 cm2 of area) were cleaned with acetylacetone and then rinsed in ethanol. Thin Au films (with thicknesses in a range of 1.7–5.0 nm) were deposited using a table-top dc magnetron sputtering coater (EM SCD 500, Leica) under pure Ar plasma conditions (Argon, Air...
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Synthesis and properties of HoT2Al20 (T = Ti, V, Cr) intermetallic cage compounds
PublicationPolycrystalline 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...
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Intermetallic disordered magnet Gd2Pt1.1Ge2.9 and its relation to other AlB2 -type compounds
PublicationThe 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...
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Synthesis and structural characterization of new cyclic siloxane with functionalized organic substituents
PublicationOcta(2-pyridyloxy)cyclotetrasiloxane was isolated as the product of the reaction between silicon disulfide and 2-hydroxypyridine. The new compound has been characterised by single crystal X-ray analysis, revealing a planar eight-membered ring with functionalized organic substituents on the silicon atoms.
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Arbutin: Isolation, X-ray structure and computional studies
PublicationArbutin, an active component originated from Serratula quinquefolia for skin-whitening use and treating skin related allergic inflammation, was characterized by microanalysis, FTIR, UV-Vis, multinuclear NMR spectroscopy, and single crystal X-ray diffraction method. The geometries of the studied compound were optimized in singlet states using the density functional theory (DFT) method with B3LYP functional. Electronic spectra were...
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La 15 Nb x Ge 9 : a superstructure of the Mn 5 Si 3 structure type with interstitial Nb atoms
PublicationThe crystal structure and elementary properties of La15NbxGe9 are reported. Single-crystal X-ray diffraction,from a crystallite with only 0.12 Nb/formula unit, reveals that this compound, although transition metal deficient, crystallizes in a hexagonal “15-1-9”-like structure type, space group P63mc (no. 186) with lattice parameters a = b = 15.5017(2) Å, c = 6.9173(2) Å. The physical properties were examined by specific heat and resistivity...
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X-RAY DIFFRACTION STUDY OF BISMUTH LAYER-STRUCTURED MULTIFERROIC CERAMICS
PublicationGoal of the present research was to apply a solid state reaction route to fabricate bismuth layer-structured multiferroic ceramics described with the formula Bi5FeTi3O15 and reveal the influence of processing conditions on its crystal structure and phase composition. Simple oxide powders Bi2O3, TiO2 and Fe2O3 were used to fabricate Aurivillius-type bismuth layer-structured ferroelectrics. Pressureless sintering in ambient air was...
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Opposite pressure impact on electron-phonon coupling in Eu2+ and Ce3+ doped AlN
Open Research DataThis data analyzes the influence of pressure on electron–lattice interactions in the 5d excited states of Ce3+ and Eu2+ in the AlN host based on pressure-dependent photoluminescence and photoluminescence excitation spectra. High-pressure measurements on AlN samples doped with Eu2+ and Ce3+ ions reveal that the Stokes shift increases with pressure for...
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Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies
PublicationA series of new linear trisubstituted N1-acylamidrazones have been investigated using a variety of analytical techniques and theoretical calculations to check the influence of the type of N1-acyl substituent on the resonance forms and conformational behavior in the solid state and in solution. The 1D- and 2D-NMR experiments, supported by computational studies, revealed that in solution all amidrazones exhibit conformational syn/anti...
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Superconductivity in a new intermetallic structure type based on endohedral Ta@Ir7Ge4 clusters
PublicationWe report the observation of superconductivity at a temperature near 3.5 K for the previously unreported compound TaIr2Ge2. In addition to being a superconductor, this material displays a new crystal structure type that contains endohedral clusters, as determined by single-crystal x-ray diffraction structure refinement; the structure is more complex than those of the commonly observed tetragonal 122 intermetallic phases. Despite...
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Coordination polymers and molecular structures among complexes of mercury(II) halides with selected 1-benzoylthioureas
PublicationSix new 1-benzoyl-3-phenylthiourea and 1-benzoyl-3-(2-methylphenyl)thiourea complexes of mercury( II) were obtained in the reactions of the ligands with HgX2 in methanol (X = Cl, Br, I). Their structures, determined by single-crystal X-ray diffraction analysis, exhibit different stoichiometries and molecular organization. Coordination centers adopt more or less distorted tetrahedral geometry (five structures) or distorted trigonal...
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The luminescence study of Ga1.98–xAlxO3:0.02Cr3+ coumpounds.
Open Research DataA chemical and mechanical pressure-induced photoluminescence tuning method was developed through structural evolution and hydrostatic pressure involving phase transition. A series of Ga1.98−xAlxO3:0.02Cr3+ phosphors were synthesized by collaborators from National Taiwan University. Structural evolution reveals a crystal phase change with the incorporation...
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Unusual behaviour of (Np,Pu)B2C
PublicationTwo transuranium metal boron carbides, NpB2C and PuB2C have been synthesized by argon arc melting. The crystal structures of the {Np,Pu}B2C compounds were determined from single-crystal X-ray data to be isotypic with the ThB2C-type (space group R3m, a = 0.6532(2) nm; c = 1.0769(3) nm for NpB2C and a = 0.6509(2) nm; c = 1.0818(3) nm for PuB2C; Z = 9). Physical properties have been derived from polycrystalline bulk material in the...
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The synthesis and structure of a potential immunosuppressant: N-mycophenoyl malonic acid dimethyl ester
PublicationThe synthesis of a potential immunosuppressant, i.e. dimethyl ester of N-mycophenoyl malonic acid was optimized in the reaction of mycophenolic acid (MPA) with amino malonic dimethyl ester in the presence of propanephosphonic anhydride (T3P) as a coupling reagent. The structural properties of the obtained MPA derivative were investigated by NMR, MS and single crystal X-ray diffraction methods. Theoretical considerations of conformational...
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The chemical and mechanical pressure influence on chromium luminescence
Open Research DataIn this study, we aim to compare the changes in the luminescence properties of Ga2O3:Cr3+ modified by Al or Sc ion substitution (chemical pressure) and hydrostatic pressure. We find the same behavior for Ga2–xAlxO3:Cr3+ and different behavior for Ga2–xScxO3:Cr3+ in terms of the optical properties under chemical and mechanical pressure. We consider Al...
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X-ray diffraction patterns of BaCe0.6Zr0.2Y0.1M0.1O3-δ (M = Fe, Pr, Tb)
Open Research DataThe dataset consists of three raw X-ray diffraction (XRD) files collected using a Phillips X’Pert Pro diffractometer (CuKα radiation (𝜆 = 1.541 Å), under 40 kV and 30 mA). The diffraction patterns of BaCe0.6Zr0.2Y0.1Fe0.1O3-δ (BCZYFe), BaCe0.6Zr0.2Y0.1Pr0.1O3-δ (BCZYPr), and BaCe0.6Zr0.2Y0.1Tb0.1O3-δ (BCZYTb) were collected at room temperature. Collected...