Search results for "Radical ion"

showing 7 items of 57 documents

Crystal structure of bis(ethylenedithio)tetrathiafulvalenium μ2-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane hemisolvate

2016

The crystal structure of a binuclear mono­carboxyl­ato dirhenium(III) complex with a fulvalene derivative is reported. This compound represents a radical cation salt containing a cluster unit with rhenium–rhenium quadruple bond.

crystal structureStereochemistrybis­(ethyl­enedi­thio)­tetra­thia­fulvaleneStackingThio-Crystal structurerhenium010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch CommunicationsCrystalquadruple metal–metal bondbis(ethylenedithio)tetrathiafulvaleneGeneral Materials Scienceradical cation saltCrystallographybiologyHydrogen bondChemistryLigandGeneral ChemistryCondensed Matter Physicsbiology.organism_classification0104 chemical sciencesCrystallographyRadical ionQD901-999TetraActa Crystallographica Section E: Crystallographic Communications
researchProduct

ESR study of thianthrenium radical cation within acid zeolites

1997

Abstract Thianthrene (E ox = 1.47 V vs NHE) has been adsorbed into a series of zeolites beta (s) and ZSM-5 in the NH 4 + or H + forms, having different particle size and Si/Al ratio. The resulting population of generated thianthrenium radical cation was determined by a combination of diffuse reflectance and ESR spectroscopies. From the results obtained it can be concluded: i) the process takes predominantly place in the interior of the voids (XPS measurements and lack of influence of the particle size); ii) ZSM-5 is more efficient than zeolite s; iii) no strong acid sites are required (both NH 4 + and H + forms produced very similar spin concentrations); iv) the zeolite framework acts isola…

education.field_of_studyChemistryOrganic ChemistryPopulationInorganic chemistryBiochemistrychemistry.chemical_compoundAdsorptionRadical ionDrug DiscoveryOxidizing agentPhysical chemistryParticle sizeDiffuse reflectioneducationThianthreneZeoliteTetrahedron
researchProduct

Gas phase behavior of radical cations of perfluoroalkyl-1,2,4-triazines: an experimental and theoretical study

2009

Electron ionization mass spectrometry and low-energy collision-induced decomposition reactions occurring in a tridimensional ion trap, together with density functional theory (DFT) calculations on neutrals, even- and odd-electron cations, have been used to study the gas-phase ion chemistry of a series of perfluoroalkyl-1,2,4-triazines. Loss of oxygen, due to thermal degradation occurring before ionization, likely involving the hydroxylamino group, has been observed. Compounds having a carbonyl group at position 6 of the triazine ring fragment in the source by elimination of NO followed by HF or CO. The decomposition pathways occurring due to CID experiments have shown interesting features d…

electron ionizationFree RadicalsStereochemistryIonic bondingDFT calculationAntineoplastic AgentsMass spectrometryGas Chromatography-Mass SpectrometryIonradical ionTandem Mass SpectrometryComputational chemistrySpectroscopyElectron ionizationFluorocarbonsMolecular StructureTriazinesChemistryPolyatomic ionSettore CHIM/06 - Chimica OrganicaModels ChemicalRadical ionUnpaired electronDensity functional theorytriazineGasesfluorinated compounds
researchProduct

Self-Assembled Molecular Rafts at Liquid|Liquid Interfaces for Four-Electron Oxygen Reduction

2011

The self-assembly of the oppositely charged water-soluble porphyrins, cobalt tetramethylpyridinium porphyrin (CoTMPyP(4+)) and cobalt tetrasulphonatophenyl porphyrin (CoTPPS(4-)), at the interface with an organic solvent to form molecular "rafts", provides an excellent catalyst to perform the interfacial four-electron reduction of oxygen by lipophilic electron donors such as tetrathiafulvalene (TTF). The catalytic activity and selectivity of the self-assembled catalyst toward the four-electron pathway was found to be as good as that of the Pacman type cofacial cobalt porphyrins. The assembly has been characterized by UV-visible spectroscopy, Surface Second Harmonic Generation, and Scanning …

inorganic chemicals2Nd-Harmonic Generationchemistry.chemical_elementPhotochemistryBiochemistryOxygenCatalysisCatalysischemistry.chemical_compoundWater-Soluble PorphyrinsColloid and Surface ChemistryCobalt Porphyrinsheterocyclic compoundsLiquid/Liquid Interface2Nd DerivativesEnergyDioxygenPolarizable Continuum ModelGeneral ChemistryPorphyrinRadical CationchemistryRadical ionSurface second harmonic generationDensity functional theoryImmiscible Electrolyte-SolutionsCobaltTetrathiafulvalene
researchProduct

Room-Temperature Magnetic Bistability in a Salt of Organic Radical Ions

2021

International audience; Cocrystallization of 7,7′,8,8′-tetracyanoquinodimethane radical anion (TCNQ −•) and 3-methylpyridinium-1,2,3,5dithiadiazolyl radical cation (3-MepyDTDA +•) afforded isostructural acetonitrile (MeCN) or propionitrile (EtCN) solvates containing cofacial π dimers of homologous components. Loss of lattice solvent from the diamagnetic solvates above 366 K affords a high-temperature paramagnetic phase containing discrete TCNQ −• and weakly bound π dimers of 3-MepyDTDA +• , as evidenced by X-ray diffraction methods and magnetic susceptibility measurements. Below 268 K, a first-order phase transition occurs, leading to a low-temperature diamagnetic phase with TCNQ −• σ dimer…

magneettiset ominaisuudetDimer02 engineering and technologyGeneral Chemistry[CHIM.MATE]Chemical Sciences/Material chemistry010402 general chemistry021001 nanoscience & nanotechnologyvapaat radikaalit01 natural sciencesBiochemistryTetracyanoquinodimethaneMagnetic susceptibilityCatalysis0104 chemical scienceschemistry.chemical_compoundParamagnetismCrystallographyColloid and Surface ChemistryRadical ionchemistryDiamagnetismPropionitrileIsostructural0210 nano-technologyorgaaniset yhdisteet
researchProduct

New charge transfer salts of two organic π-donors of the tetrathiafulvalene type with the paramagnetic [Cr(NCS)6]3- anion

2003

cited By 9; International audience; The electrochemical combination of the paramagnetic anion [Cr(NCS)6]3- with the organic π-donors bis(ethylenedithio)tetrathiafulvalene (ET) and 4,5-bis(2-hydroxyethylthio) -4′,5′-ethylenedithiotetrathiafulvalene (DHET-EDTTTF) leads to two new radical cation salts, namely (ET)4 [Cr(NCS 6]·PhCN 1 and (DHET-EDTTTF)2 (NEt4)[Cr(NCS)6] 2. Both have been characterized by X-ray crystallography, magnetic and resistivity measurements. The structure of 1 consists of alternating inorganic layers generated by the anions and organic layers in which the PhCN molecules are inserted; the organic sub-lattice is built up from four different ET units, three of them with a ch…

organic compoundStereochemistryGeneral Chemical EngineeringDimerCrystal structure010402 general chemistry01 natural scienceschromium derivativeParamagnetismchemistry.chemical_compoundtetrathiafulvalene derivativeMolecule[CHIM]Chemical Sciencescontrolled studyradical010405 organic chemistryferromagnetic materialarticleCharge densityGeneral ChemistryanionX ray crystallographysemiconductordimerMagnetic susceptibility0104 chemical sciencescationinorganic compoundCrystallographyRadical ionchemistryelectrochemistrymagnetismchemical structureroom temperatureTetrathiafulvaleneconductanceenergy
researchProduct

Studies in organic mass spectrometry. Part 23. Role of the aroyl group on the competitive fragmentation reactions of the molecular ion of aroylanilid…

1999

The 70 eV and mass-analysed ion kinetic energy (MIKE) spectra of some thiophenecarboxanilides and benzoylanilides (1–10) have been compared in order to investigate the role of the aroyl (or heteroaroyl) moiety on the abundance of the competitive fragmentation reactions occurring in their molecular ions (amide–bond cleavage and phenol radical ion formation). It has been shown that the electron ionisation induced decompositions with high (70 eV) and low (MIKE) internal energy excess are qualitatively similar, but remarkable quantitative differences have been observed that can be accounted for in terms of the different effectiveness in the transmission of electronic effects of substituents in …

substituent effectsChemistryrearrangement processesPolyatomic ionAnalytical chemistryaroylanilidesMass spectrometryPhotochemistryelectron ionisation; positive ions; ion chemistry; aroylanilides; substituent effects; rearrangement processesIonchemistry.chemical_compoundRadical ionFragmentation (mass spectrometry)positive ionsThiopheneElectronic effectMoietyion chemistryelectron ionisationSpectroscopy
researchProduct