Search results for "Alate"

showing 10 items of 695 documents

A New Layered Compound Containing [PMo12O40]3- and Both 5- and 6-Coordinated Homoleptic (1-(2-Chloroethyl)tetrazole)Copper(II) Cations

2002

The synthesis, crystal structure and physical properties of the complex obtained from the reaction between the polyoxometalate anion [PMo12O40]3- copper(II) and the ligand 1-(2-chloroethyl)tetrazole (teec) are described. This compound has been synthesized as a model for designing materials containing both magnetic polyoxometalate anions and iron(II) spin-crossover cations. Keywords. Coordination chemistry; Heterocycles; Polyoxometalates; Structure elucidation; Tetrazole.

chemistry.chemical_classificationchemistry.chemical_compoundChemistryLigandPolymer chemistryPolyoxometalateInorganic chemistrychemistry.chemical_elementTetrazoleCrystal structureHomolepticCopperCoordination complex
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The first radical salt of the polyoxometalate cluster [P2W18O62]6⊖with bis(ethylenedithio)tetrathiafulvalene (ET): ET11[P2W18O62] · 3H2O

1996

chemistry.chemical_classificationchemistry.chemical_compoundMaterials sciencechemistryMechanics of MaterialsMechanical EngineeringOrganometallic polymerPolyoxometalateCluster (physics)Organic chemistrySalt (chemistry)General Materials ScienceTetrathiafulvaleneAdvanced Materials
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Advanced descriptors for long-range noncovalent interactions between SARS-CoV-2 spikes and polymer surfaces.

2021

The recent pandemic triggered numerous societal efforts aimed to control and limit the spread of SARS-CoV-2. One of these aspects is related on how the virion interacts with inanimate surfaces, which might be the source of secondary infection. Although recent works address the adsorption of the spike protein on surfaces, there is no information concerning the long-range interactions between spike and surfaces, experimented by the virion when is dispersed in the droplet before its possible adsorption. Some descriptors, namely the interaction potentials per single protein and global potentials, were calculated in this work. These descriptors, evaluated for the closed and open states of the sp…

chemistry.chemical_classificationclosed and open structuresDensity Functional calculationsSecondary infectionIonic bondingFiltration and SeparationPolymerArticleAnalytical Chemistrychemistry.chemical_compoundAdsorptionPolylactic acidchemistryChemical physicsCovalent bondlong-range interaction potential energiesPolyethylene terephthalateNon-covalent interactionssurface affinity descriptorsSARS-CoV-2 spike proteinsMolecular Mechanics and Dynamics simulationsSeparation and purification technology
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Crystal structure of isobutylammonium hydrogen oxalate hemihydrate

2014

In the title hydrated molecular salt, C4H12N+·C2HO4−·0.5H2O, the O atom of the water molecule lies on a crystallographic twofold axis. The dihedral angle between the CO2and CO2H planes of the anion is 18.47 (8)°. In the crystal, the anions are connected to each other by strong near-linear O—H...O hydrogen bonds. The water molecules are located between the chains of anions and isobutylamine cations; their O atoms participate as donors and acceptors, respectively, in O—H...O and N—H...O hydrogen bonds, which form channels (dimensions = 4.615 and 3.387 Å) arranged parallel to [010].

chemistry.chemical_classificationcrystal structureCrystallographyChemistryHydrogen bondmaterials engineeringSalt (chemistry)isobutylammonium hydrogen oxalate hemihydrateGeneral ChemistryCrystal structureDihedral anglehydrated mol­ecular salthydrogen bondingCondensed Matter PhysicsData ReportsAmmonium hydrogen oxalate hemihydrateIonCrystalhydrated molecular saltCrystallographyQD901-999AtomGeneral Materials Scienceiso­butyl­ammonium hydrogen oxalate hemihydrateActa Crystallographica Section E Structure Reports Online
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Crystal structure of 2-methyl-1H-imidazol-3-ium aquatrichlorido(oxalato-κ2O,O′)stannate(IV)

2015

N—H⋯O, N—H⋯Cl and O—H⋯O hydrogen bonds between cations and anions in the complex salt (C4H7N2)+[Sn(H2O)Cl3(C2O4)]− are responsible for the formation of a three-dimensional network structure.

chemistry.chemical_classificationcrystal structureStannateLigandHydrogen bondorganotin(IV) complexInorganic chemistrychemistry.chemical_elementSalt (chemistry)General ChemistryCrystal structureCondensed Matter PhysicsMedicinal chemistryOxalateResearch Communicationslcsh:Chemistrychemistry.chemical_compoundchemistrylcsh:QD1-999hydrogen bondsGeneral Materials ScienceChelationTinActa Crystallographica Section E: Crystallographic Communications
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ChemInform Abstract: Multifunctionality in Hybrid Magnetic Materials Based on Bimetallic Oxalate Complexes

2011

This tutorial review illustrates the design of multifunctional oxalate-based magnetic materials through the combination of the intrinsic magnetism of the metal–organic framework and the additional properties introduced by several organic/inorganic functional cations.

chemistry.chemical_compoundChemical engineeringChemistryMagnetismGeneral Medicineequipment and supplieshuman activitiesBimetallic stripOxalateChemInform
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ChemInform Abstract: Chemical Compounds and Toxicological Assessments of Drinking Water Stored in Polyethylene Terephthalate (PET) Bottles: A Source …

2012

A declaration of conformity according to European regulation No. 10/2011 is required to ensure the safety of plastic materials in contact with foodstuffs. This regulation established a positive list of substances that are authorized for use in plastic materials. Some compounds are subject to restrictions and/or specifications according to their toxicological data. Despite this, the analysis of PET reveals some non-intentionally added substances (NIAS) produced by authorized initial reactants and additives. Genotoxic and estrogenic activities in PET-bottled water have been reported. Chemical mixtures in bottled water have been suggested as the source of these toxicological effects. Furthermo…

chemistry.chemical_compoundChemical mixturesChemistryEnvironmental chemistryExtraction (chemistry)Plastic materialsPolyethylene terephthalateExtraction methodsSample preparationGeneral MedicineContaminationBottled waterChemInform
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Ethyldimethylammonium oxalate

2006

The title crystal structure, C4H12N+·C2HO4−, contains discrete ethyl­dimethyl­ammonium cations and oxalate monoanions. Linear chains of oxalate monoanions are formed by strong O—H⋯O hydrogen bonds. These chains are further connected by N—H⋯O and C—H⋯O hydrogen bonds through ethyl­dimethyl­ammonium cations, forming channels along the a axis.

chemistry.chemical_compoundChemistryHydrogen bondPolymer chemistryGeneral Materials ScienceGeneral ChemistryCrystal structureAmmonium oxalateCondensed Matter PhysicsOxalateActa Crystallographica Section E Structure Reports Online
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Cover Picture: Insertion of a Single-Molecule Magnet inside a Ferromagnetic Lattice Based on a 3D Bimetallic Oxalate Network: Towards Molecular Analo…

2014

chemistry.chemical_compoundCrystallographyFerromagnetismChemistryMagnetLattice (order)Organic ChemistryX-ray crystallographySingle-molecule magnetGeneral ChemistryBimetallic stripCatalysisOxalateChemistry - A European Journal
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ChemInform Abstract: Cobalt Clusters with Cubane-Type Topologies Based on Trivacant Polyoxometalate Ligands.

2016

Four novel cobalt-substituted polyoxometalates having cobalt cores exhibiting cubane or dicubane topologies have been synthesized and characterized by IR, elemental analysis, electrochemistry, UV–vis spectroscopy, X-ray single-crystal analysis, and magnetic studies. The tetracobalt(II)-substituted polyoxometalate [Co4(OH)3(H2O)6(PW9O34)]4– (1) consists of a trilacunary [B-α-PW9O34]9– unit which accommodates a cubane-like {CoII4O4} core. In the heptacobalt(II,III)-containing polyoxometalates [Co7(OH)6(H2O)6(PW9O34)2]9– (2), [Co7(OH)6(H2O)4(PW9O34)2]n9n– (3), and [Co7(OH)6(H2O)6(P2W15O56)2]15– (4), dicubane-like {CoII6CoIIIO8} cores are encapsulated between two heptadentate [B-α-PW9O34]9– (in…

chemistry.chemical_compoundCrystallographychemistryCubanePolyoxometalatechemistry.chemical_elementGeneral MedicineType (model theory)ElectrochemistrySpectroscopyAlkali metalCobaltExchange modelChemInform
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