Search results for "ELECTRON-TRANSFER"

showing 10 items of 15 documents

Intermolecular oxidative dehydrogenative 3,3′-coupling of benzo[b]furans and benzo[b]thiophenes promoted by DDQ/H+: total synthesis of shandougenine B

2016

With an excess of a strong acid, 2,3-dichloro-5,6-dicyano-1,4-quinone (DDQ) is shown to promote metal-free intermolecular oxidative dehydrogenative (ODH) 3,3'-coupling of 2-aryl-benzo[b]furans and 2-aryl-benzo[b]thiophenes up to 92% yield as demonstrated with 9 substrates. Based on the analysis of oxidation potentials and molecular orbitals combined with EPR, NMR and UV-Vis observations, the studied reaction is initiated by a DDQ-substrate charge transfer complex and presumably proceeds via oxidation of the substrate into an electrophilic radical cation that further reacts with another molecule of a neutral substrate. The coupling reactivity can easily be predicted from the oxidation potent…

116 Chemical sciencesEFFICIENTfree radicalscoupling reactionsvapaat radikaalit010402 general chemistryPhotochemistry01 natural sciencesMedicinal chemistryCoupling reactionoxidative dehydrogenationC BOND FORMATIONSCHOLL REACTIONELECTRON-TRANSFERMolecular orbitalReactivity (chemistry)luonnonaineiden synteesiDIPHOSPHINE LIGANDSta116BASIS-SETSCATALYZED STEREOSELECTIVE REACTIONS010405 organic chemistryChemistryOrganic ChemistrykytkentäreaktiotSubstrate (chemistry)Total synthesishapettava dehydroganaatiolaskennallinen kemiaCharge-transfer complex0104 chemical sciencesRadical ionsynthesis of natural productsACIDElectrophileCATION-RADICALSHETEROCYCLESOrganic Chemistry Frontiers
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Masstodon : a tool for assigning peaks and modeling electron transfer reactions in top-down mass spectrometry

2019

Abstract: Top-down mass spectrometry methods are becoming continuously more popular in the effort to describe the proteome. They rely on the fragmentation of intact protein ions inside the mass spectrometer. Among the existing fragmentation methods, electron transfer dissociation is known for its precision and wide coverage of different cleavage sites. However, several side reactions can occur under electron transfer dissociation (ETD) conditions, including nondissociative electron transfer and proton transfer reaction. Evaluating their extent can provide more insight into reaction kinetics as well as instrument operation. Furthermore, preferential formation of certain reaction products can…

Apolipoprotein A-IUbiquitinChemistry010401 analytical chemistryElectronsSubstance PTracing010402 general chemistryMass spectrometry01 natural sciencesMass Spectrometry0104 chemical sciencesAnalytical ChemistryIonElectron-transfer dissociationChemical kineticsElectron transferChemistryFragmentation (mass spectrometry)Chemical physicsMass spectrumAlgorithmsSoftwareAnalytical chemistry
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Cobalt Electrolyte/Dye Interactions in Dye-Sensitized Solar Cells: A Combined Computational and Experimental Study

2012

We report a combined experimental and computational investigation to understand the nature of the interactions between cobalt redox mediators and TiO2 surfaces sensitized by :ruthenium and organic dyes, and their impact on. the performance of the corresponding dye-sensitized solar cells (DSSCs). We : focus: on different ruthenium dyes and fully organic dyes, to understand the dramatic loss of efficiency observed for the prototype Ru(II) N719 dye in conjunction with :Cobalt: electrolytes. Both N719- and Z907-based DSSCs showed an increased lifetime in iodine-based electrolyte compared to the cobalt-based redox-shuttle; While the organic D21L6 and D25L6 cycles endowed.With long alkoxy chains,…

COLLOIDAL TIO2 FILMSinorganic chemicalsLOW QUANTUM YIELDSInorganic chemistrychemistry.chemical_element02 engineering and technologyElectrolyte010402 general chemistryPhotochemistry01 natural sciencesBiochemistryRedoxREDOX COUPLECatalysisEFFECTIVE CORE POTENTIALSDENSITY-FUNCTIONAL THEORYColloid and Surface ChemistryDENSITY-FUNCTIONAL THEORY; EFFECTIVE CORE POTENTIALS; INTRAMOLECULAR ELECTRON-TRANSFER; TRANSITION-METAL-COMPLEXES; COLLOIDAL TIO2 FILMS; LOW QUANTUM YIELDS; MOLECULAR CALCULATIONS; REDOX COUPLE; MAGNETIC-PROPERTIES; PHOTOVOLTAIC CELLSMAGNETIC-PROPERTIESPHOTOVOLTAIC CELLSLigandGeneral Chemistry021001 nanoscience & nanotechnologyMOLECULAR CALCULATIONSTRANSITION-METAL-COMPLEXES0104 chemical sciencesMarcus theoryRutheniumDye-sensitized solar cellchemistryAlkoxy groupINTRAMOLECULAR ELECTRON-TRANSFER0210 nano-technologyCobalt
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On/Off Photoswitching in a Cyanide-Bridged {Fe2Co2} Magnetic Molecular Square

2013

International audience; A repeatable bidirectional paramagnetic ↔ diamagnetic photomagnetic effect has been observed in the cyanide-bridged Fe-Co square complex {[Fe{B(pz)(4)}(CN)(3)](2)[Co(bik)(2)](2)}(ClO(4))(2)*3H(2)O [B(pz)(4) = tetrapyrazolylborate, bik = bis(1-methylimidazol-2-yl)ketone]. Magnetic measurements and low-temperature single-crystal X-ray diffraction experiments have shown that a complete electron transfer from the diamagnetic Fe(II)-Co(III) state to the paramagnetic Fe(III)-Co(II) metastable state is induced by 808 nm laser light irradiation, whereas the diamagnetic state is recovered in an almost quantitative yield under irradiation at 532 nm.

CyanideINDUCED ELECTRON-TRANSFERTRANSITIONSRELAXATION010402 general chemistryPhotochemistry01 natural sciencesBiochemistryCOBALT-IRON CYANIDECatalysisPHOTOINDUCED MAGNETIZATIONParamagnetismchemistry.chemical_compoundElectron transferColloid and Surface ChemistryMetastability[SDV.BBM]Life Sciences [q-bio]/Biochemistry Molecular BiologyIrradiationALKALI-METAL-IONPRUSSIAN BLUE ANALOGS010405 organic chemistryChemistryRelaxation (NMR)Photomagnetic effectGeneral Chemistry3. Good health0104 chemical sciencesCOSOLID-STATECrystallographyDiamagnetismJournal of the American Chemical Society
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eta1-Allypalladium complexes with tridentate PNP’ ligand for the assembly of modified Screen Printed Electrodes: an electrochemical study.

2015

Specific Pd-based organometallic complex, in particular the [Pd(η1-CH2–CH=CH2)(P–N–P’)]BF4 was used for the assembly of chemically modified Screen Printed Electrodes (SPEs) and their electrochemical reactivity was also investigated. For this purpose potassium ferricyanide, hexaammineruthenium(III) chloride, sodium hexachloroiridate-(III) hydrate, ascorbic acid (AA), uric acid (UA), acetaminophen (Ac), guanine (G) and adenine (A) were used to study the electron-transfer processes, which occurred at modified SPEs, fabricated by using the [Pd(η1-CH2–CH=CH2)(P–N–P’)]BF4, applying the drop casting procedure. Interesting results were obtained in the case of the guanine (G) quantitative detection,…

Detection limitElectrocatalysis towards guanine/GP-N-P complexesGuanineAnalytical chemistryPd center dot P-N-P complexesElectrochemistryAscorbic acidHeterogeneous electron-transfer kinetic constantsAnalytical Chemistry: Pdchemistry.chemical_compoundPotassium ferricyanidechemistrychemically modified SPEsElectrodeElectrochemistryReactivity (chemistry)Settore CHIM/01 - Chimica Analitica: Pd; P-N-P complexes; chemically modified SPEs; Electrochemistry; Heterogeneous electron-transfer kinetic constants electro-catalysis towards nucleic acidsHydrateNuclear chemistryelectro-catalysis towards nucleic acids
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ETD and ECD Mass Spectrometry Fragmentation for the Characterization of Protein Post Translational Modifications

2012

The introduction of electron capture dissociation (ECD) by McLafferty and co-workers, and further of electron transfer dissociation (ETD), mechanism allows gas-phase fragmentation of multiply charged protein and peptide ions upon capture of a low-energy (<1 eV) electron or electron transfer in a gas phase ion-ion chemistry. The odd-electron species then undergoes rearrangement with subsequent cleavage of N−Cα backbone. Peptide fragmentation can take place inducing the formation of cand ztype fragment ions without loss of the information on the PTM localization. The key to the success of this approach is the selection of intact protein molecular ions and its profound potential for PTM charac…

Electron-transfer dissociationElectron transferSulfationFragmentation (mass spectrometry)Electron-capture dissociationChemistryBiophysicsPhosphorylationMass spectrometryIon
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Carbon Nanotubes Conjugated with Triazole-Based Tetrathiafulvalene-Type Receptors for C60 Recognition

2019

Fullerene receptors prepared by a twofold CuI -catalyzed azide-alkyne cycloaddition (CuAAC) reaction with -extended tetrathiafulvalene (exTTF) have been covalently linked to singlewalled carbon nanotubes (SWCNTs) and multi-walled carbon nanotubes (MWCNTs). The nanoconjugates obtained were characterized by several analytical, spectroscopic and microscopic techniques (TEM, FTIR, Raman, TGA and XPS), and evaluated as C60 receptors by UV-Vis spectroscopy. The complexation between the exTTF-triazole receptor in the free state and C60 was also studied by UV-Vis and 1 H NMR titrations, and compared with analogous triazole-based tweezer-type receptors containing the electron-acceptor 11,11,12,12-t…

FullereneFULLERENEShost-guest interactionsTriazoleCarbon nanotubeCOMMUNICATIONConjugated systemHOSTS010402 general chemistry01 natural scienceslaw.inventionchemistry.chemical_compoundsymbols.namesakeTCAQAZIDESlawCHEMISTRYAROMATICITYPHOTOINDUCED ELECTRON-TRANSFERcarbon nanotubes010405 organic chemistryCOMPLEXATIONQuímica orgánicaAromaticityEXTTFGeneral Chemistrypi-extended tetrathiafulvalenes0104 chemical sciencesCrystallographychemistrydensity functional calculationssymbolsDensity functional theoryRaman spectroscopyTetrathiafulvalene
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Porphyrins and BODIPY as Building Blocks for Efficient Donor Materials in Bulk Heterojunction Solar Cells

2017

International audience; Advances in the synthesis and application of highly efficient polymers and small molecules over the last two decades have enabled the rapid advancement in the development of organic solar cells and photovoltaic technology as a promising alternative to conventional solar cells, based on silicon and other inorganic semiconducting materials. Among the different types of organic semiconducting materials, porphyrins and BODIPY-based small molecules and conjugated polymers attract high interest as efficient semiconducting organic materials for dye sensitized solar cells and bulk heterojunction organic solar cells. The highest power conversion efficiency exceeding 9% has be…

Materials scienceOrganic solar cellEnergy Engineering and Power Technologypower-conversion efficiency02 engineering and technologydonor materials010402 general chemistryporphyrins7. Clean energy01 natural sciencesPolymer solar cellbulk heterojunction solar cellsphotoinduced electron-transferchemistry.chemical_compoundBODIPYElectrical and Electronic Engineeringsmall-moleculelow-bandgap polymerbusiness.industryfield-effect transistors[CHIM.MATE]Chemical Sciences/Material chemistryHybrid solar cellpi-conjugated copolymersd-a021001 nanoscience & nanotechnologyAtomic and Molecular Physics and Optics0104 chemical sciencesElectronic Optical and Magnetic Materialsphotovoltaic propertieschemistryopen-circuit voltage[ CHIM.MATE ] Chemical Sciences/Material chemistryOptoelectronicsorganic photovoltaicsBODIPY0210 nano-technologybusiness
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Relaxed but highly compact diansa metallacyclophanes.

2011

A series of monoansa [μ-1,1′-PR-3,3′-Co(1,2-C2B9H10)2]− and diansa [8,8′-μ-(1″,2″-benzene)-μ-1,1′-PR-3,3′-Co(1,2-C2B9H9)2]− (R = Ph, tBu) cobaltabisdicarbollidephanes have been synthesized, characterized and studied by NMR, MALDI-TOF-MS, UV-visible spectroscopy, cyclic voltammetry, and DFT calculations. Single crystal X-ray diffraction revealed a highly relaxed structure characterized by the title angle α of 3.8° ([7]−), this being the smallest angle α for a metallacyclophane. In such compounds, the metal-to-phosphorus distance is less than the sum of their van der Waals radii. The availability of a phosphorus lone pair causes an electron delocalization through the metal, as shown by the ab…

Models MolecularElectron-transferchemistry.chemical_elementPhosphanesNanotechnologyStereoisomerism010402 general chemistryCrystallography X-Ray01 natural sciencesBiochemistryCatalysisElectron transferColloid and Surface ChemistryOrganometallic CompoundsMoleculeMetallocenophanesta116Group 2 organometallic chemistryMolecular Structure010405 organic chemistryChemistryStereoisomerismGeneral ChemistryCobalt0104 chemical sciencesChemistryPhysical chemistryQuantum TheoryMonoansaMetallacarboranesCobaltDiansaJournal of the American Chemical Society
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Modification of Nanocrystalline WO3 with a Dicationic Perylene Bisimide: Applications to Molecular Level Solar Water Splitting

2015

[(N,N?-Bis(2-(trimethylammonium)ethylene) perylene 3,4,9,10-tetracarboxylic acid bisimide)(PF6)2] (1) was observed to spontaneously adsorb on nanocrystalline WO3 surfaces via aggregation/hydrophobic forces. Under visible irradiation (? > 435 nm), the excited state of 1 underwent oxidative quenching by electron injection (kinj > 108 s-1) to WO3, leaving a strongly positive hole (Eox ? 1.7 V vs SCE), which allows to drive demanding photo-oxidation reactions in photoelectrochemical cells (PECs). The casting of IrO2 nanoparticles (NPs), acting as water oxidation catalysts (WOCs) on the sensitized electrodes, led to a 4-fold enhancement in photoanodic current, consistent with hole transfer from …

Models MolecularMolecular ConformationNanoparticleImidesPhotochemistryBiochemistryTungstenCatalysisNOCatalysiElectron Transportchemistry.chemical_compoundColloid and Surface ChemistryTheoryofComputation_ANALYSISOFALGORITHMSANDPROBLEMCOMPLEXITYWO3ComputingMethodologies_SYMBOLICANDALGEBRAICMANIPULATIONperylenePhotoelectrochemical cellIrO2Quenching (fluorescence)Chemistry (all)charge transferWaterOxidesGeneral ChemistryPhotoelectrochemical cellPhotochemical ProcessesSolar fuelChemistry (all); Catalysis; Biochemistry; Colloid and Surface ChemistryNanocrystalline materialperylene WO3 charge transfer IrO2MicrosecondchemistryWater SplittingSunlightVISIBLE-LIGHT; ARTIFICIAL PHOTOSYNTHESIS; PHOTOELECTROCHEMICAL CELL; OXIDATION CATALYSTS; ELECTRON-TRANSFER; FABRICATIONNanoparticlesPerylene bisimideWater splittingPeryleneMathematicsofComputing_DISCRETEMATHEMATICS
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