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Search results for: continuum orbitals
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Karol Moszyk
PeopleCertified Lean Six Sigma Black Belt with maritime transport and operations academic background. Logistics professional with a broad experience in various container terminal positions, reporting to COO and Operations Director in Operations Department and CFO (directly) and CEO (indirectly) within Performance Improvement Team. Professional ambition is to combine an open and pragmatic leadership style with a customer focus supported...
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Excited states of isoxazole molecules studied by electron energy-loss spectroscopy
PublicationElectron energy-loss spectra were measured in isoxazole in the excitation energy range 3.5−10 eV to investigate the valence excited states. Spectra recorded at different scattering conditions enabled the identification of the singlet and triplet states and the determination of their vertical excitation energies. The two lowest energy triplet bands, ππ* 13A' and ππ* 23A' at 4.20 and 5.30 eV, respectively show vibrational progressions....
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Magnetic field effects in dye-sensitized solar cells controlled by different cell architecture
PublicationThe charge recombination and exciton dissociation are generally recognized as the basic electronic processes limiting the efficiency of photovoltaic devices. In this work, we propose a detailed mechanism of photocurrent generation in dye-sensitized solar cells (DSSCs) examined by magnetic field effect (MFE) technique. Here we demonstrate that the magnitude of the MFE on photocurrent in DSSCs can be controlled by the radius and...
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Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory.
PublicationTime dependent density functional theory calculations are applied on a series of molecular photocatalysts of the type [(tbbpy)2M1(tpphz)M2X2]2+ (M1 = Ru, Os; M2 = Pd, Pt; X = Cl, I) in order to provide information concerning the photochemistry occurring upon excitation of the compounds in the visible region. To this aim, the energies, oscillator strengths and orbital characters of the singlet and triplet excited states are investigated....
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Soft X-ray Induced Production of Neutral Fragments in High-Rydberg States at the O 1s Ionization Threshold of the Water Molecule
PublicationDissociation of water molecules after soft X-ray absorption can yield neutral fragments in high-Rydberg (HR) states. We have studied the production of such fragments by field ionization and ion time-of-flight (TOF) spectrometry. Neutral HR fragments are created at all resonances below the O 1s ionization potential (IP) and particularly within 1 eV above the O 1s IP. The latter effect is due to the recapture of the O 1s photoelectrons...
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Density functional LCAO calculations of vibrational modes and phonon density of states in the strained single-layer phosphorene
PublicationThe paper presents an investigation of phosphorene under axial strain on the phonon density of states and vibrational modes. The studies were performed by means of density functional theory (DFT) within the linear combination of atomic orbitals (LCAO). The strained models were constructed using optimised supercell techniques. The vibrational mode spectra were estimated for strains applied for both the zigzag and armchair directions...
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Bifurcation of equilibrium forms of an elastic rod on a two-parameter Winkler foundation
PublicationWe consider two-parameter bifurcation of equilibrium states of an elastic rod on a deformable foundation. Our main theorem shows that bifurcation occurs if and only if the linearization of our problem has nontrivial solutions. In fact our proof, based on the concept of the Brouwer degree, gives more, namely that from each bifurcation point there branches off a continuum of solutions.
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The influence of feed rate and shear forces on the devulcanization process of ground tire rubber (GTR) conducted in a co-rotating twin screw extruder
PublicationThe search for new ways to recycling of rubber waste has been the aim of many studies conducted by research centers and companiesworldwide. The results of our investigations on the process of continuous thermomechanical devulcanization of ground tire rubber using a twin screw extruder are presented.We used a co-rotating twin screw extruder with a special configuration of plasticizing unit, enabling generation of considerable shear...
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Lefschetz periodic point free self-maps of compact manifolds
PublicationLet f be a self-map of a compact connected manifold M. We characterize Lefschetz periodic point free continuous self-maps of M for several classes of manifolds and generalize the results of Guirao and Llibre [J.L.G. Guirao, J. Llibre, On the Lefschetz periodic point free continuous self-maps on connected compact manifolds,
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RuAl6—An Endohedral Aluminide Superconductor
PublicationSuperconductivity is reported in an endohedral aluminide compound, RuAl6, with Tc = 1.21 K. The normalized heat capacity jump at Tc, ΔC/γTc = 1.58, confirms bulk superconductivity. The Ginzburg–Landau parameter of κ = 9.5 shows that RuAl6 is a type-II superconductor. Electronic structure calculations for RuAl6 are explored in comparison to its structural analogue ReAl6 (Tc = 0.74 K). The stability of the phases is discussed in...
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The generalization by simplification operator with Sester’s method of objects representing groups of buildings in Gdańsk district - scale 1:10000. Data from OSM
Open Research DataThe process of automatic generalization is one of the elements of spatial data preparation for the purpose of creating digital cartographic studies. The presented data include a part of the process of generalization of building groups obtained from the Open Street Map databases (OSM) [1].
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Janusz Datta prof. dr hab. inż.
PeopleIn 1988, Janusz Datta finished his studies at the Gdańsk University of Technology (GUT), Faculty of Chemistry. Since then he has been employed at the Faculty of Chemistry in the Department of Polymer Technology. During the first six years of employement he was worked as a scientist. In this period, he travelled extensively to ZACHEM company located in Bydgoszcz to gain practical experience related to chemical processing. In 1994,...
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Modeling of Composite Shells in 6-Parameter Nonlinear Theory with Drilling Degree of Freedom
PublicationWithin the framework of a 6-parameter nonlinear shell theory, with strain measures of Cosserat type, constitutive relations are proposed for thin elastic composite shells. The material law is expressed in terms of five engineering constants of classical anisotropic continuum plus an additional parameter accounting for drilling stiffness. The theory allows for unlimited displacements and rotations. A number of examples are presented...
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SOILPROM Modelling pollutant transport across the soil-water-atmosphere continuum, and impacts on ecosystem services
ProjectsProject realized in Department of Geotechnical and Hydraulic Engineering according to 101156589 - SOILPROM - HORIZON-MISS-2023-SOIL-01 agreement from 2024-05-17
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Lefschetz periodic point free self-maps of compact manifolds
PublicationLet f be a self-map of a compact connected manifold M. We characterize Lefschetz periodic point free continuous self-maps of M for several classes of manifolds and generalize the results of Guirao and Llibre [J.L.G. Guirao, J. Llibre, On the Lefschetz periodic point free continuous self-maps on connected compact manifolds, Topology Appl. 158 (16) (2011) 2165-2169].
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Chemical and Mechanical Properties of 70-Year-Old Concrete
PublicationThe aim of this research is to determine the durability and strength of concrete continuous footing based on the chosen mechanical, physical, and chemical properties of the concrete. The presented investigations constitute some opinions from experts on the bearing capacity of concrete continuous footing and the possibilities of carrying additional loads and extended working life. The cylindrical specimens were taken from continuous...
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Paenibacillus alvei MP1 as a Producer of the Proteinaceous Compound with Activity against Important Human Pathogens, Including Staphylococcus aureus and Listeria monocytogenes
PublicationAn emerging need for new classes of antibiotics is, on the one hand, evident as antimicrobial resistance continues to rise. On the other hand, the awareness of the pros and cons of chemically synthesized compounds’ extensive use leads to a search for new metabolites in already known reservoirs. Previous research showed that Paenibacillus strain (P. alvei MP1) recovered from a buckwheat honey sample presented a wide spectrum of...
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Waves Along Fractal Coastlines: From Fractal Arithmetic to Wave Equations
PublicationBeginning with addition and multiplication intrinsic to a Koch-type curve, we formulate and solve wave equation describing wave propagation along a fractal coastline. As opposed to examples known from the literature, we do not replace the fractal by the continuum in which it is embedded. This seems to be the first example of a truly intrinsic description of wave propagation along a fractal curve. The theory is relativistically...
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Comparative modeling of shear localization in granular bodies with FEM and DEM
PublicationThe intention of the paper is to compare the calculations of shear zones in granular bodies using two different approaches: a continuum and a discrete one. In the first case, the FEM based on a micro-polar hypoplastic constitutive law was used. In the second case, the DEM was taken advantage of, where contact moments were taken into account to model grain roughness. The comparative calculations were performed for a passive case...
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The generalization by simplification operator with Sester’s method of objects representing groups of buildings in Kartuzy district - scale 1:10000. Data from OSM
Open Research DataThe process of automatic generalization is one of the elements of spatial data preparation for the purpose of creating digital cartographic studies. The presented data include a part of the process of generalization of building groups obtained from the Open Street Map databases (OSM) [1].
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Scanning electron microscopy (SEM) images of the boron-dopied diamond surfaces
Open Research DataThe dataset contains the scanning electron micrographs (SEM), revealing the surface morphology of diamond electrodes on different substrates. The diamond surface is characterized by an aggregation of crystals that do not form a continuous layer.
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Generic invariant measures for iterated systems of interval homeomorphisms
PublicationIt is well known that iterated function systems generated by orientation preserving homeomorphisms of the unit interval with positive Lyapunov exponents at its ends admit a unique invariant measure on (0, 1) provided their action is minimal. With the additional requirement of continuous differentiability of maps on a fixed neighbourhood of {0,1} { 0 , 1 } , we present a metric in the space of such systems which renders it complete....
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A SHORT REVIEW OF BLOOD FLOW MODELLING METHODS: FROM MACRO- TO MICROSCALES
PublicationThe aim of this paper it to review various scale approaches to the blood flow modelling. Blood motion may be described by three types of mathematical models according to the observed scales or resolutions, namely microscopic, mesoscopic and macroscopic descriptions. The above approaches are discussed together with their advantages and disadvantages. Several results of mesoscopic simulations are presented with particular attention...
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Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
PublicationThe electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U, DFT +HIA, and DFT+ED). The influence of the electron correlations and the spin-orbit coupling on the magnetic properties has been examined. The DFT+U method predicts both atoms to carry local magnetic moments (spin and orbital) contrary to a nonmagnetic...
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Magdalena Szuflita-Żurawska
PeopleHead of the Scientific and Technical Information Services at the Gdansk University of Technology Library and the Leader of the Open Science Competence Center. She is also a Plenipotentiary of the Rector of the Gdańsk University of Technology for open science. She is a PhD Candidate. Her main areas of research and interests include research productivity, motivation, management of HEs, Open Access, Open Research Data, information...
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A dipole-driven path for electron and positron attachments to gas-phase uracil and pyrimidine molecules: a quantum scattering analysis
PublicationElectron and positron scattering processes in the gas-phase are analysed for uracil and pyrimidine molecules using a multichannel quantum approach at energies close to threshold. The special effects on the scattering dynamics induced by the large dipole moments in both molecules on the spatial features of the continuum leptonic wavefunctions are here linked to the possible bound states of the Rydberg-like molecular anions or ‘positroned’...
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Superconductivity in Metal-Rich Chalcogenide Ta2Se
PublicationThe metal–metal bond in metal-rich chalcogenide is known to exhibit various structures and interesting physical properties. Ta2Se can be obtained by both arc-melting and solid-state pellet methods. Ta2Se crystallizes a layered tetragonal structure with space group P4/nmm (No. 129; Pearson symbol tP6). Each unit cell consists of four layers of body-centered close-packing Ta atoms sandwiched between two square nets of Se atoms, forming...
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A Novel Ru(II) Polypyridine Black Dye Investigated by Resonance Raman Spectroscopy and TDDFT Calculations
PublicationThe optical properties of a new(bipyridine)2Ru(4H-imidazole) complex presenting a remarkablebroad absorption in the visible range are investigated. Thestrong overlap of the absorption with the solar radiationspectrum renders the studied complex promising as a blackabsorber and hence as a starting structure for applications inthe field of dye-sensitized solar cells. The correlations betweenstructural and electronic features for...
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WiMA: Towards a Multi-Criterion Association in Software Defined Wi-Fi Networks
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Anna Sobieraj-Żłobińska dr inż.
PeopleAnna Sobieraj-Żłobińska (born in 1977 in Przasnysz) graduated from the National Education Commission High School in Przasnysz. From 1996 she continued her studies at the Faculty of Geodesy and Spatial Management at the University of Agriculture and Technology Michał Oczapowski in Olsztyn. In 2001, she obtained a master's degree in engineering at the University of Warmia and Mazury in Olsztyn (thesis topic "Determining a multiple...
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Molecular basis of the low activity of antitumor anthracenediones, mitoxantrone and ametantrone, in oxygen radical generation catalyzed by NADH dehydrogenase. Enzymatic and molecular modelling studies
PublicationSyntetyczne antracenodionowe leki przeciwnowotworowe, w przeciwieństwie do antybiotyków antracyklinowych, charakteryzują się słabym wytwarzaniem wolnych rodników w układach z dehydrogenazą NADH. Wyniki prezentowane w artykule wskazują, że ani potencjał redukcyjny, ani konformacja łańcuchów bocznych, ani energie orbitali granicznych (LUMO i HOMO) nie determinują zdolności antracenedionów do stymulacji wytwarzania reaktywnych form...
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Simple Fractal Calculus from Fractal Arithmetic
PublicationNon-Newtonian calculus that starts with elementary non-Diophantine arithmetic operations of a Burgin type is applicable to all fractals whose cardinality is continuum. The resulting definitions of derivatives and integrals are simpler from what one finds in the more traditional literature of the subject, and they often work in the cases where the standard methods fail. As an illustration, we perform a Fourier transform of a real-valued...
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Concept of Generic IT Organization Evolution Model
PublicationThe purpose of this publication is to present a generic model of the IT organization evaluation process as an attempt to systematize and describe the continuous actions and changes in the organization.
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Power Surge Compensator based on a Four Level Diode Clamped Inverter for ship application. Average model
PublicationPaper presents continuous average value model of Power Surge Compensator based on a Four Level Diode Clamped Inverter with super capacitor as a energy storage device. This conditioner is design for power surge or fluctuation elimination, by compensating it with energy stored in ESD. Continuous average value model of multilevel S-PWM has been presented also. Summary of raised problem is a simulation model made in PowerSim Psim 8...
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Laminated plates and shells - first ply failure analysis within 6-parameter shell theory
PublicationThis work describes Tsai-Wu and Hashin criteria modifications, dictated by nonlinear 6-parameter shell theory with asymmetric strain measures and drilling rotation. The material law is based on standard orthotropic elastic constants for a non-polar continuum, under plane state of stress. First ply failure loads of cylindrical panel subjected to pressure and flat compressed plate are estimated by means of Finite Element Analysis....
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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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Some Introductory and Historical Remarks on Mechanics of Microstructured Materials
PublicationHere we present few remarks on the development of the models of microstuctured media and the generalized continua.
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The Role of Electron Transfer in the Fragmentation of Phenyl and Cyclohexyl Boronic Acids
PublicationIn this study, novel measurements of negative ion formation in neutral potassium-neutral boronic acid collisions are reported in electron transfer experiments. The fragmentation pattern of phenylboronic acid is comprehensively investigated for a wide range of collision energies, i.e., from 10 to 1000 eV in the laboratory frame, allowing some of the most relevant dissociation channels to be probed. These studies were performed in...
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Superconductivity in a breathing kagome metals ROs2 (R = Sc, Y, Lu)
PublicationWe have successfully synthesized three osmium-based hexagonal Laves compounds ROs2 (R = Sc, Y, Lu), and discussed their physical properties. LeBail refinement of pXRD data confirms that all compounds crystallize in the hexagonal centrosymmetric MgZn2- type structure (P63/mmc, No. 194). The refined lattice parameters are a = b = 5.1791(1) Å and c = 8.4841(2) Å for ScOs2, a = b = 5.2571(3) Å and c = 8.6613(2) Å for LuOs2 and a =...
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O obliczaniu kablobetonowych ciągłych dźwigarów mostowych
PublicationPrzedstawiono analityczną metodę obliczania kablobetonowych ciągłych dźwigarów z wykorzystaniem metody sił. Podano przykład analizy zrealizowanego kablobetonowego wiaduktu o schemacie dwuprzęsłowej belki ciągłej. Porównano wyniki obliczeń analitycznych i numerycznych (model belkowy, program Sofistik).
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QUEUE II Winter School
e-Learning CoursesQUEUE = QUantum and molEcUlEsIt's a school organized for all those young scientists and students who wish to learn on the basics and advances in quantum ideas and methodologies and its practical applications for living problems in chemistry, electrochemistry and material sciences. The students will learn on how to perform the quantum-chemical computations, because we have planned a big block of laboratories, aside from lectures,...
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QUEUE I Summer School
e-Learning CoursesQUEUE = QUantum and molEcUlEsIt's a school organized for all those young scientists and students who wish to learn on the basics and advances in quantum ideas and methodologies and its practical applications for living problems in chemistry, electrochemistry and material sciences. The students will learn on how to perform the quantum-chemical computations, because we have planned a big block of laboratories, aside from lectures,...
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QUEUE III Summer School
e-Learning CoursesQUEUE = QUantum and molEcUlEsIt's a school organized for all those young scientists and students who wish to learn on the basics and advances in quantum ideas and methodologies and its practical applications for living problems in chemistry, electrochemistry and material sciences. The students will learn on how to perform the quantum-chemical computations, because we have planned a big block of laboratories, aside from lectures,...
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The modyfication of the dynamic characteristics of vibratory conveyor
PublicationThe vibratory conveyors are used in the industry for continuous transportation of loose substances on distance up to 20meters. These conveyors are often suspended on expensive and massive frames, which are softly vibroisolated from the ground. As a result, they transfer significant dynamic forces on the ground. In case of 5 - 20 meter-long devices, the biggest construction problems are proper vibrations of the panel caused by bilateral...
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Innovative Solutions in Surface Water Quality Monitoring
PublicationIn 2010 a project entitled "Integrated Support System for Management and Protection of Water Dam Reservoir (ZiZOZap)” was initiated, to aid solving water management problems on a river and dam reservoir formed on it. An innovative system of continuous monitoring was created, that encompassed selected physical and chemical parameters of river and lake waters in three chosen sites. This article presents a selection of results, that...
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Nonlocal Models of Plates and Shells with Applications in Micro- and Nanomechanics
PublicationNowadays, the use of small-scale structures in micro/nanomachines has become more and more widespread. The most important applications of such small-sized parts are in micro-electro-mechanical systems (MEMS) as well as nano-electro-mechanical systems (NEMS) as actuators, sensors, energy harvesters. For example, nanosensors are nanoscale devices that measure physical quantities and convert these to signals that can be detected and...
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Hybrydowe rodzaje promieniujące uwarstwionych prowadnic mikrofalowych układów scalonych
PublicationW pracy przedstawiono metodę opisu widma ciągłego uwarstwionych prowadnic hybrydowych, mikrofalowych układów scalonych. Na wstępie zbadano własności rodzajów w uwarstwionych, ekranowanych z góry i dołu, prowadnicach płaskorównoległych. Dokonując przejścia granicznego, polegającego na odsunięciu do nieskończoności górnego ekranu linii, pokazano mechanizm generacji continuum rodzajów promieniujących z nieskończonego zbioru rodzajów...
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Karolina Makowska-Jarosik dr inż.
PeopleKarolina Makowska-Jarosik graduated from the High School in Nowy Dwór Gdański in 2009. She continued her education at the Faculty of Civil and Environmental Engineering at the Gdansk University of Technology (1st degree studies) and Faculty Of Mining Surveying And Environmental Engineering at the AGH University of Science and Technology (2nd degree studies). In 2015, she obtained the title of Master of Science in Geodesy and Cartography...
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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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π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex
PublicationThe synthesis and characterization of a mixed metal ruthenium(II)/gold(III) complex bridged by tetrapyridophenazine (tpphz) are described. It is isostructural and isoelectronic to the well-known photocatalysts with palladium(II) or platinum(II). Concentration dependent 1H-NMR spectroscopy and XRD studies show that the electrostatic repulsion between the gold(III) moieties exceeds the attractive π-stacking interaction. Theoretical...