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Simulation of perovskite-based CuI/CH3NH3PbI3/SnO2 solar cell performance
Open Research DataThe presented data set is part of the theoretical research on novel thin-layer lead-halide perovskite solar cells with different inorganic transparent conductive oxides used as charge transport layers. In this study CuI/CH3NH3PbI3/SnO2 model structure (Model 2) was investigated by the use of the SCAPS-1D simulation method (https://scaps.elis.ugent.be/).
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Simulation of perovskite-based CuI/CH3NH3PbI3/ZnO solar cell performance
Open Research DataThe presented data set is part of the theoretical research on novel thin-layer lead-halide perovskite solar cells with different inorganic transparent conductive oxides used as charge transport layers. In this study CuI/CH3NH3PbI3/ZnO model structure (Model 3) was investigated by the use of the SCAPS-1D simulation method (https://scaps.elis.ugent.be/).
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Nowoczesne techniki przygotowania próbki do oznaczania analitów organicznych z zastosowaniem chromatografii gazowej. Część I. Podstawy teoretyczne ekstrakcji. Modern techniques of preparation of samples for determining organic analytes by gas chromatography. Part I. Theoretical principles of extraction.
PublicationPrzedstawiono podstawy teoretyczne technik izolacji i wzbogacania analitów organicznych z próbek gazowych oraz ciekłych. Już pobieżna analiza literatury dotyczącej omawianych zagadnień, pokazuje jak różnorodne i bogate spektrum technik jest stosowane na etapie przygotowania próbki. Z drugiej strony, z punktu widzenia podstaw fizykochemicznych, większość technik opiera się na dwóch zjawiskach: adsorpcji analitów na medium zatrzymującym...
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Marek Tobiszewski dr hab. inż.
PeopleBorn on April 7, 1984 in Gdańsk. In 2012, he defended his doctorate with honors, in 2017 he obtained his habilitation on the basis of the scientific achievement "Development of analytical procedures and solvents for the assessment of environmental nuisance". He has been working at the Department of Analytical Chemistry since 2012. His research interests includes analytical chemistry, especially the analytics of organic compounds...
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Green and Sustainable Membranes: A review
PublicationMembranes are ubiquitous tools for modern water treatment technology that critically eliminate hazardous materials such as organic, inorganic, heavy metals, and biomedical pollutants. Nowadays, nano-membranes are of particular interest for myriad applications such as water treatment, desalination, ion exchange, ion concentration control, and several kinds of biomedical applications. However, this state-of-the-art technology suffers...
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Influence of Phosphorus Speciation on Its Chemical Removal from Reject Water from Dewatering of Municipal Sewage Sludge
PublicationThe aim of the presented research was the assessment of phosphorus speciation impact on the precipitation of phosphorus in reject water using Ca(OH)2. To achieve this, phosphorus speciation (organic and inorganic phosphorus in suspension and in dissolved form) in reject water that is produced during sludge dewatering, after methane digestion in wastewater treatment plants (WWTPs), was determined. This study covered the materials...
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MINERAL MATTER IN MUNICIPAL SOLID WASTE
PublicationMunicipal solid waste (MSW) contains mineral materials which are seldom considered as a potential resource. Currently, the waste management sector pays attention to recyclable parts, biodegradable material, waste-to-energy fraction, and residues after waste reuse and recycle. In contrast, this study focus as on the mineral matter in MSW. The aim was to analyze and discuss the sources of mineral matter in MSW, the impact which the...
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An overview of the strategies for the deammonification process start-up and recovery after accidental operational failures
PublicationThe deammonification process has been universally acknowledged as an energy-efficient technology for sewage disposal. In contrast with traditional biological nitrogen removal technology, the deammonification process is able to remove ammonia from wastewater with the simplest nitrogen removal process because of its advantages of lower operating expenses, no organic carbon consumption, lower biomass production, lower carbon dioxide...
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The XRD diffraction patterns of as-prepared (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials synthesized via the solid state reaction method
Open Research DataThe (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials were synthesized via the solid state reaction method and examined as a potential anode material. First, the mixed oxide reagents were pressed into pellets and calcined at 1200 °C for 12 hours to decompose most of the organic compounds. The resulting calcined pellet was ground...
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The AFM micrographs and impedance study of epoxy coatings after exposure in corrosive media
Open Research DataThe dataset contains Atomic Force Microscopy (AFM) images and local impedance measurements of epoxy organic coating used as anti-corrosion protection, before and after 2-month exposure to sodium chloride solution. Additionally, there two local impedance spectra recorded after the coating exposure. The first one was recorded on intact coating surface,...
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Hybrid electrode materials for fast performance devices
PublicationEnergy storage devices such as Electrochemical Double Layer Capacitors and other types of the electrochemical capacitors require chemically stable, non-soluble, electrochemically active electrode materials compatible with appropriate electrolytes. Factors which determine their applicability are derived from so called electrochemical window of electroltes, nature of charge accumulation and their kinetics. On the other hand technological...
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Jan Alfuth dr inż.
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The XRD diffraction patterns of (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials after reduction at 900 deg.C in hydrogen
Open Research DataThe (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials were synthesized via the solid state reaction method and examined as a potential anode material. First, the mixed oxide reagents were pressed into pellets and calcined at 1200 °C for 12 hours to decompose most of the organic compounds. The resulting calcined pellet was ground...
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The XRD diffraction patterns of (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials after reduction at 1000 deg.C in hydrogen
Open Research DataThe (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials were synthesized via the solid state reaction method and examined as a potential anode material. First, the mixed oxide reagents were pressed into pellets and calcined at 1200 °C for 12 hours to decompose most of the organic compounds. The resulting calcined pellet was ground...
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The XRD diffraction patterns of (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials after reduction at 1100 deg.C in hydrogen
Open Research DataThe (La0.3Sr0.6Ce0.1)0.9Me0.1Ti0.9O3-δ (Me= Co, Cu, Fe, Mn, Ni) materials were synthesized via the solid state reaction method and examined as a potential anode material. First, the mixed oxide reagents were pressed into pellets and calcined at 1200 °C for 12 hours to decompose most of the organic compounds. The resulting calcined pellet was ground...
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Pulsed Laser Deposition of Bismuth Vanadate Thin Films—The Effect of Oxygen Pressure on the Morphology, Composition, and Photoelectrochemical Performance
PublicationThin layers of bismuth vanadate were deposited using the pulsed laser deposition technique on commercially available FTO (fluorine-doped tin oxide) substrates. Films were sputtered from a sintered, monoclinic BiVO4 pellet, acting as the target, under various oxygen pressures (from 0.1 to 2 mbar), while the laser beam was perpendicular to the target surface and parallel to the FTO substrate. The oxygen pressure strongly affects...
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Low-Dimensional Magnetic Semimetal Cr0.65Al1.35Se3
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Impact of High Pressure on Metallophilic Interactions and Its Consequences for Spectroscopic Properties of a Model Tetranuclear Silver(I)–Copper(I) Complex in the Solid State
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Synthetic, Structural, and Spectroscopic Characterization of a Novel Family of High-Spin Iron(II) [(β-Diketiminate)(phosphanylphosphido)] Complexes
PublicationThis work describes a series of iron(II) phosphanylphosphido complexes. These compounds were obtained by reacting lithiated diphosphanes R2PP(SiMe3)Li (R = t-Bu, i-Pr) with an iron(II) β-diketiminate complex, [LFe(μ2-Cl)2Li(DME)2] (1), where DME = 1,2-dimethoxyethane and L = Dippnacnac (β-diketiminate). While the reaction of 1 with t-Bu2PP(SiMe3)Li yields [LFe(η1-Me3SiPPt- Bu2)] (2), that of 1 with equimolar amounts of i-Pr2PP(SiMe3)Li,...
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(CsX)Cu5O2(PO4)2 (X = Cl, Br, I): A Family of Cu2+ S = 1/2 Compounds with Capped-Kagomé Networks Composed of OCu4 Units
PublicationThree new salt inclusion compounds (CsX)Cu5O2(PO4)2 (X = Cl, Br, I), phosphate analogues of the kagomé mineral averievite, are reported. Their crystal structures are composed of trigonal networks of corner-sharing OCu4 anion-centered tetrahedra, forming capped-kagomé planes, which can also be regarded as two-dimensional slices along the [111] direction of a pyrochlore lattice. Magnetization and heat capacity measurements reveal...
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Syntheses and Structures of Transition Metal Complexes with Phosphanylphosphinidene Chalcogenide Ligands
PublicationThe reactivity of the phosphanylphosphinidene complex [(DippN)2W(Cl)(η2-P-PtBu2)]− (1) toward chalcogens (Ch = Se, S) was studied. Reactions of stoichiometric amounts of 1 with chalcogens in DME yielded monomeric tungsten complexes with phosphanylphosphinidene chalcogenide ligands of the formula tBu2P−P−Ch (Ch = Se (in 2) and S (in 5)), which can be regarded as products of the addition of a chalcogen atom to a P=W bond in starting...
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Low-Dimensional Magnetic Semimetal Cr0.65Al1.35Se3
PublicationWhile exploring novel magnetic semiconductors, the new phase Cr0.65Al1.35Se3 was discovered and characterized by both structural and physical properties. Cr0.65Al1.35Se3 was found to crystallize into orthorhombic CrGeTe3-type structure with space group Pnma (no. 62). Vacancies and mixed occupancies were tested, and the results show that one of the 4c sites accommodates a mixture of Cr and Al atoms, while the other 4c site is fully...
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Broad-Range Spectral Analysis for Chiral Metal Coordination Compounds: (Chiro)optical Superspectrum of Cobalt(II) Complexes
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Dimolybdenum Tetracarboxylates as Auxiliary Chromophores in Chiroptical Studies of vic-Diols
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Series of MI[Co(bpy)3][Mo(CN)8]·nH2O (MI = Li (1), K (2), Rb (3), Cs (4); n = 7−8) Exhibiting Reversible Diamagnetic to Paramagnetic Transition Coupled with Dehydration−Rehydration Process
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Stability of Superhalogen Anions in the Aqueous Phase
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Moderately Reactive Molecules Forming Stable Ionic Compounds with Superhalogens
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Halogenoids as Ligands in Superhalogen Anions
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BX4− and AlX4− Superhalogen Anions (X = F, Cl, Br): An ab Initio Study
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Lattice Dynamics and Structural Phase Transitions in Eu2O3
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Reactivity of Phosphanylphosphinidene Complex of Tungsten(VI) toward Phosphines: A New Method of Synthesis of catena-Polyphosphorus Ligands
PublicationThe reactivity of an anionic phosphanylphosphinidene complex of tungsten(VI), [(2,6-i-Pr2C6H3N)2(Cl)- W(η2-t-Bu2P=P)]Li·3DME toward PMe3, halogenophosphines, and iodine was investigated. Reaction of the starting complex with Me3P led to formation of a new neutral phosphanylphosphinidene complex, [( 2,6-i-Pr2C6H3N)2(Me3P)W(η2-t-Bu2P=P)]. Reactions with halogenophosphines yielded new catena-phosphorus complexes. From reaction with...
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Anticancer Study on IrIII and RhIII Half-Sandwich Complexes with the Bipyridylsulfonamide Ligand
PublicationTwo non-platinum compounds, organometallic half-sandwich complexes [(η 5 -Cp)IrCl(L)]PF 6 (1) and [(η 5 -Cp)RhCl(L)]PF 6 (2) were prepared by treating pentamethylcyclopentadienyl chloride dimers of iridium(III) or rhodium(III) with the obtained 4-amino-N-(2,2'-bipyridin-5- yl)benzenesulfonamide ligand (L) and ammonium hexafluorophosphate. The crystal structures of ligand (L) and complexes 1 and 2 were obtained and then analyzed. Coordination...
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Highly linear self-assembled porphyrin wires
PublicationAn efficient noncovalent assembly process involving high geometrical control was applied to a linear bis(imidazolyl zinc porphyrin) 7Zn, bearing C18 substitutents, to generate linear multiporphyrin wires. The association process is based on imidazole recognition within the cavity of the phenanthroline-strapped zinc porphyrin. In chlorinated solvents, discrete soluble oligomers were obtained after (7Zn)n was end-capped with a terminal...
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Intramolecular interactions in crystals of tris(2,6-diisopropylphenoxy)silanethiol and its sodium salts
PublicationHydrolytically stable tris(2,6-diisopropylphenoxy)silanethiol has been obtained and reacted with sodium. Solid state interactions within and between the molecules of tris(2,6-diisopropylphenoxy)silanethiol including S-H---π-interactions between the S-H unit and the π-system of the arene have been analyzed. The interactions are documented by X-ray diffraction and FT-IR spectroscopy.
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A coordination chemistry study of hydrated and solvated cationic vanadium ions in oxidation states +III, +IV, and +V in solution and solid state
PublicationPrzedmiotem studiów jest chemia koordynacyjna solwatów jonów wanadu(III), oksowanadu(IV) jaki i dioksowanadu(V) w rozpuszczalnikach tlenowo-donorowych takich jak: woda, dimetylosulfotlenek (DMSO) oraz N,N'-dimetylopropylenomocznik (DMPU). Badania prowadzone były w roztworach ciekłych jak i w fazie stałej z wykorzystaniem absorpcji (EXAFS), rozproszenia (LAXS) jak i dyfrakcji promieniowania X. Analiza uzyskanych wyników wskazuje,...
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Multi-Site Cation Control of Ultra-Broadband Near-Infrared Phosphors for Application in Light-Emitting Diodes
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Chromium(III)-Doped Fluoride Phosphors with Broadband Infrared Emission for Light-Emitting Diodes
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Porphyrazines Peripherally Functionalized with Hybrid Ligands as Molecular Scaffolds for Bimetallic Metal-Ion Coordination
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Porphyrazines as Molecular Scaffolds: Flexible Syntheses of Novel Multimetallic Complexes
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Chemical Pressure Tuning Magnetism from Pyrochlore to Triangular Lattices
PublicationGeometrically frustrated lattices combined with magnetism usually host quantum fluctuations that suppress magnetic orders and generate highly entangled ground states. Three-dimensionally (3D) frustrated magnets generally exist in the diamond and pyrochlore lattices, while two-dimensionally (2D) frustrated geometries contain Kagomé, triangular, and honeycomb lattices. In this work, we reported using chemical pressure to tune the magnetism...
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Phosphinophosphoranes: Mixed-Valent Phosphorus Compounds with Ambiphilic Properties
PublicationHerein, we present a simple synthesis of mixed-valent phosphinophosphoranes bearing three- and five-coordinate phosphorus centers. Compounds with phosphorus–phosphorus bonds were synthesized via a reaction of lithium phosphides RR′PLi with cat2PCl (cat = catecholate), whereas derivatives with methylene-linked phosphorus centers were obtained via a reaction of phosphanylmethanides RR′CH2Li with cat2PCl. The presence of accessible...
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Reactions of Lithiated Diphosphanes R2P−P(SiMe3)Li (R = tBu and iPr) with [MeNacnacTiCl2·THF] and [MeNacnacTiCl3]. Formation and Structure of TitaniumIII and TitaniumIV β‑Diketiminato Complexes Bearing the Side-on Phosphanylphosphido and Phosphanylphosphinidene Functionalities
Publicationβ-Diketiminate complexes of TiIII-containing phosphanylphosphido ligands [MeNacnacTi(Cl){η2-P(SiMe3)- PR2}] (MeNacnac− = [Ar]NC(Me)CHC(Me)N[Ar]; Ar = 2,6- iPr2C6H3) were prepared by reactions of [MeNacnacTiCl2· THF] with lithium derivatives of diphosphanes R2P−P(SiMe3) Li (R = tBu, iPr) in toluene solutions. Surprisingly, reactions of [MeNacnacTiCl2·THF] with R2P−P(SiMe3)Li in THF solutions led to TiIV complexes containing phosphanylphosphinidene ligands...
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Diphosphinoboranes as Intramolecular Frustrated Lewis Pairs: P–B–P Bond Systems for the Activation of Dihydrogen, Carbon Dioxide, and Phenyl Isocyanate
PublicationHerein, we present the first example of the activation of small molecules by P-B-P bond systems. The reactivity study involves reactions of two selected diphosphinoboranes, (tBu2P)2BPh (1’) and (Cy2P)2BNiPr2 (2), that differ in terms of their structural and electronic properties for the activation of dihydrogen, carbon dioxide, and phenyl isocyanate. Diphosphinoborane 1’ activates H2 under very mild conditions in the absence of...
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Spin and Orbital Effects on Asymmetric Exchange Interaction in Polar Magnets: M(IO3)2 (M = Cu and Mn)
PublicationMagnetic polar materials feature an astonishing range of physical properties, such as magnetoelectric coupling, chiral spin textures, and related new spin topology physics. This is primarily attributable to their lack of space inversion symmetry in conjunction with unpaired electrons, potentially facilitating an asymmetric Dzyaloshinskii–Moriya (DM) exchange interaction supported by spin–orbital and electron–lattice coupling. However,...
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Monomeric Triphosphinoboranes: Intramolecular Lewis Acid–Base Interactions between Boron and Phosphorus Atoms
PublicationHerein, we present the synthesis of the first fully characterized monomeric triphosphinoboranes. The simple reaction of boron tribromide with three equivalents of bulky lithium phosphide tBu2PLi yielded triphosphinoborane (tBu2P)3B. Triphosphinoboranes with diversified phosphanyl substituents were obtained via a two-step reaction, in which isolable bromodiphosphinoborane (tBu2P)2BBr is first formed and then reacts with one equivalent...
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Solvent Impact on the Diversity of Products in the Reaction of Lithium Diphenylphosphide and a Ti(III) Complex Supported by a tBu2P–P(SiMe3) Ligand
PublicationWe present two important trends in the reactivity ofthe titanium complex [MeNacNacTi(Cl){η2-P(SiMe3)-PtBu2}](MeNacNac− = [Ar]NC(Me)CHC(Me)N[Ar]; Ar = 2,6-iPr2Ph)with nucleophilic reagents RLi (R = Ph2P,tBuO, (Me3Si)2N, andtBu2N) depending on the reaction medium. Reaction in nonpolarsolvent (toluene) leads to three main products: via an autoredoxprocess and nucleophilic substitution at the Ti-atom to afford theTi(IV) complex [MeNacNacTi(R){η2-P-PtBu2}]...
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Hydration of Oxometallate Ions in Aqueous Solution
PublicationThe strength of hydrogen bonding to and structure of hydrated oxometallate ions in aqueous solution have been studied by double difference infrared (DDIR) spectroscopy and large-angle X-ray scattering (LAXS), respectively. Anions are hydrated by accepting hydrogen bonds from the hydrating water molecules. The oxygen atom of the permanganate and perrhenate ions form weaker and longer hydrogen bonds to water than the hydrogen bonds...
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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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The Reactivity of Phosphanylphosphinidene Complexes of Transition Metals Toward Terminal Dihaloalkanes
PublicationThe reactivities of phosphanylphosphinidene complexes [(DippN)2W(Cl)(η2-P−PtBu2)]− (1), [(pTol3P)2Pt(η2- P=PtBu2)] (2), and [(dppe)Pt(η2-P=PtBu2)] (3) toward dihaloalkanes and methyl iodide were investigated. The reactions of the anionic tungsten complex (1) with stochiometric Br(CH2)nBr (n = 3, 4, 6) led to the formation of neutral complexes with a tBu2PP(CH2)3Br ligand or neutral dinuclear complexes with unusual tetradentate...
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Activation of N2O and SO2 by the P–B Bond System. Reversible Binding of SO2 by the P–O–B Geminal Frustrated Lewis Pair
PublicationHerein, we present the first transformation of borylphosphine into borylphosphinite using nitrous oxide. Borylphosphine reacts with N2O via insertion of a single oxygen atom into the P−B bond and formation of a P−O−B bond system. Borylphosphine and borylphosphinite capture SO2 and activate it in an irreversible and reversible manner, respectively.