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showing 10 items of 14693 documents

Co–Co and Co–Fe cyano-bridged pentanuclear clusters based on a methylpyrazinyl-diamine tetradentate ligand: spin crossover and metal substitution eff…

2017

A pentanuclear [CoII3CoIII2] cluster complex has been developed by a solvothermal synthesis. Its highly stable metal-mixed Fe–Co derivatives display robust spin crossover (T1/2 = 268 K) controlled by the degree of substitution.

010405 organic chemistrySolvothermal synthesisSubstitution (logic)General Chemistry010402 general chemistryCondensed Matter PhysicsPhotochemistry01 natural sciences0104 chemical sciencesMetalCrystallographychemistry.chemical_compoundDegree of substitutionchemistrySpin crossovervisual_artDiaminevisual_art.visual_art_mediumCluster (physics)General Materials ScienceTetradentate ligandCrystEngComm
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Electrochemical and spectroelectrochemical studies of β-phosphorylated Zn porphyrins

2013

The electrochemical and spectroelectrochemical properties of two β-phosphorylated Zn porphyrins, [2-diethoxyphosphoryl-5,10,15,20-tetraphenylporphyrinato]zinc (1) and [2-diisopropoxyphosphoryl-5,10,15,20-tetraphenylporphyrinato]zinc (2), are reported in CH 2 Cl 2 and PhCN containing tetrabutylammonium perchlorate (TBAP) or tetrabutylammonium hexafluorophosphate (TBAPF6) as supporting electrolyte. Under certain solution conditions, three one-electron reductions are observed, with the last process being attributed to the product of a chemical reaction following formation of the porphyrin dianion. Two or three oxidations are observed for the same compounds, again depending upon the solution c…

010405 organic chemistrySupporting electrolyteDimerSubstituentchemistry.chemical_elementGeneral ChemistryZinc010402 general chemistryPhotochemistry01 natural sciencesPorphyrinRedox0104 chemical scienceschemistry.chemical_compoundRadical ionchemistryPolymer chemistryTetrabutylammonium hexafluorophosphate[CHIM]Chemical SciencesComputingMilieux_MISCELLANEOUSJournal of Porphyrins and Phthalocyanines
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Long-range electronic connection in picket-fence like ferrocene–porphyrin derivatives

2012

The effects of a direct connection between ferrocene and porphyrin units have been thoroughly investigated by electrochemical and spectroscopic methods. These data not only reveal that substitution of the porphyrin macrocycle by one, two, three or four ferrocenyl groups strongly affects the electronic properties of the porphyrin and ferrocenyl moieties, they also clearly demonstrate that the metallocene centres are "connected" through the porphyrin-based electronic network. The dynamic properties of selected ferrocene-porphyrin conjugates have been investigated by VT NMR and metadynamic calculations. 1,3-Dithiolanyl protecting groups have been introduced on the upper rings of the ferrocene …

010405 organic chemistrySupramolecular chemistryCrystal structure010402 general chemistryPhotochemistryElectrochemistry01 natural sciencesPorphyrin0104 chemical sciencesDithiolaneInorganic Chemistrychemistry.chemical_compoundCrystallographyMonomerchemistryFerrocene[CHIM]Chemical SciencesMetalloceneComputingMilieux_MISCELLANEOUS
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Bowl-shape electron donors with absorptions in the visible range of the solar spectrum and their supramolecular assemblies with C 60

2012

We describe the synthesis, electronic, optical and photophysical properties of a family of three electron-donor bowl-shaped organic molecules that absorb light in the whole range of the visible spectrum (up to 800 nm in one case), and associate C60 in solution with binding constants in the range of 104–102 M−1 as measured from both UV-vis and fluorescence titrations in several solvents. These molecules are π-extended derivatives of tetrathiafulvalene, based on a truxene core to which two or three units of dithiole are covalently attached. The inclusion of the bulky dithiole groups is responsible for their bowl-shape geometry, which allows them to associate with C60, and their electron-donor…

010405 organic chemistrySupramolecular chemistryGeneral Chemistry010402 general chemistryPhotochemistry01 natural sciences0104 chemical sciencesPhotoexcitationchemistry.chemical_compoundchemistryIntramolecular forceUltrafast laser spectroscopyDensity functional theoryAbsorption (chemistry)TetrathiafulvaleneVisible spectrum
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Remote Control by π-Conjugation of the Emissive Properties of Fischer Carbene-BODIPY Dyads.

2016

The synthesis, structure, and complete characterization of mono- and bimetallic dyads joining Fischer carbene complexes and BODIPY chromophores are reported. In these organometallic species, the Fischer carbene complex is attached to the BODIPY moiety through a p-aminophenyl group linked at the C8 carbon atom of the BODIPY core. The photophysical properties, namely the corresponding UV/vis absorption and emission spectra of these new metal-carbene complexes, are analyzed and discussed. It is found that whereas the absorption of the considered dyads strongly resembles that of the parent 4-anilinyl-substituted BODIPY, the fluorescence emission is significantly reduced in these species, very l…

010405 organic chemistryTransition metal carbene complexChromophore010402 general chemistryPhotochemistry01 natural sciencesFluorescence0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundchemistryOrganic chemistryMoietyEmission spectrumPhysical and Theoretical ChemistryBODIPYAbsorption (electromagnetic radiation)Bimetallic stripInorganic chemistry
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Catalytic activity of biscobalt porphyrin-corrole dyads toward the reduction of dioxygen

2009

A series of biscobalt cofacial porphyrin-corrole dyads bearing mesityl substituents at the meso positions of the corrole ring were investigated as to their electrochemistry, spectroelectrochemistry, and CO binding properties in nonaqueous media and then applied to the surface of a graphite electrode and tested as electrocatalysts for the reduction of dioxygen to water or hydrogen peroxide in air-saturated aqueous solutions containing 1 M HClO(4). The catalytic reduction of O(2) with the same dyads was also investigated in the homogeneous phase using 1,1'-dimethylferrocene as a reductant in PhCN containing HClO(4). The examined compounds are represented as (PMes(2)CY)Co(2), where P = a porph…

010405 organic chemistry[ CHIM.COOR ] Chemical Sciences/Coordination chemistry010402 general chemistryElectrocatalystPhotochemistry01 natural sciencesPorphyrin0104 chemical sciencesCatalysisInorganic Chemistrychemistry.chemical_compoundElectron transferchemistrycorrolePolymer chemistryelectrocatalyst[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical ChemistryCyclic voltammetryCorroleRotating disk electrodeVoltammetryporphyrinComputingMilieux_MISCELLANEOUSreduction of dioxygen
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Electrochemically-driven conformational shift in mono- and di-copper constrained macrotricyclic cyclen receptors

2008

International audience; An electrochemical study of mono- and di-copper constrained cyclen macrotricycles is presented. Electrochemical data in DMF solution indicate that the reduction of dinuclear complexes occurs in two steps in the -0.4 to -0.8 V vs.AgCl/Ag potential range yielding CuII CuI and CuI CuI species further reduced to Cu metal at highly negative potentials. Mononuclear complexes are reduced in two steps to CuI and Cu metal. Electrochemical data suggest that reduction of both mononuclear and dinuclear complexes approach a square scheme involving electrochemically-driven conformational shifts for metal ions. The presence of endo- and exo-forms of the complexes are revealed by ch…

010405 organic chemistry[CHIM.ORGA]Chemical Sciences/Organic chemistryMetal ions in aqueous solutionchemistry.chemical_elementTetraethylammonium chloride010402 general chemistryElectrochemistryPhotochemistry01 natural sciencesCopper0104 chemical sciencesInorganic ChemistryMetalchemistry.chemical_compoundCrystallographychemistryCyclen[CHIM.ANAL]Chemical Sciences/Analytical chemistryvisual_artvisual_art.visual_art_medium[CHIM]Chemical SciencesReceptorOctane
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Reactions in the presence of irradiated semiconductors: Are they simply photocatalytic?

2018

A generally accepted classification distinguishes semiconductor photocatalysis in type A and type B. The first class comprehends reactions where the primary redox products (radical anions and cations) further evolve giving rise to the final reduced and oxidized species. Type B reactions occur when the primary redox products undergo intermolecular bond formation to addition products. Recently, some photocatalytic reactions have been reported wherein the photocatalytically produced compounds are not the final products. In fact, they react in the solution bulk or catalytically on the surface of the semiconductor with other species thus producing the target compounds. These reactions, hereby re…

010405 organic chemistrybusiness.industryChemistryC-H activation of alkaneOrganic ChemistryPrimary redox product010402 general chemistryPhotochemistry01 natural sciencesIrradiated semiconductor0104 chemical sciencesSemiconductorPhotocatalysisC-O bond formationIrradiationSettore CHIM/07 - Fondamenti Chimici Delle TecnologiebusinessC-N couplingSemiconductor photocatalysi
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DFT Study on the Interaction of Tris(benzene-1,2-dithiolato)molybdenum Complex with Water. A Hydrolysis Mechanism Involving a Feasible Seven-Coordina…

2016

In the present work, the reactivity of the tris(benzene-1,2-dithiolato)molybdenum complex ([Mo(bdt)3]) toward water is studied by means of the density functional theory (DFT). DFT calculations were performed using the M06, B3P86, and B3PW91 hybrid functionals for comparison purposes. The M06 method was employed to elucidate the reaction pathway, relative stability of the intermediate products, nature of the Mo–S bond cleavage, and electronic structure of the involved molybdenum species. This functional was also used to study the transference of electrons from the molybdenum center toward the ligands. The reaction pathway confirms that [Mo(bdt)3] undergoes hydrolysis, yielding dihydroxo-bis(…

010405 organic chemistrychemistry.chemical_elementElectronic structure010402 general chemistryPhotochemistry01 natural sciences0104 chemical sciencesHybrid functionalchemistry.chemical_compoundCrystallographychemistryMolybdenumDensity functional theoryReactivity (chemistry)Physical and Theoretical ChemistryBenzeneLone pairBond cleavageThe Journal of Physical Chemistry A
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A reinvestigation of compound CpMo(PMe3)2(CH3)2: Alkylation by single electron transfer and radical addition?

2001

International audience; The synthesis of the half-sandwich molybdenum(III) diphosphine dimethyl complex CpMo(PMe3)2(CH3)2 has been reinvestigated. The compound was obtained from the corresponding dichloro complex CpMo(PMe3)2Cl2 and methyllithium at low temperatures and isolated as a crystalline product by conducting all operations at temperatures lower than −10 °C. The complex is thermally unstable at room temperature but has been fully characterised by EPR spectroscopy, cyclic voltammetry and X-ray diffraction. The formation reaction is retarded by excess phosphine. On the basis of this and other related observations, a mechanism involving phosphine pre-dissociation followed by single elec…

010405 organic chemistrychemistry.chemical_elementGeneral ChemistryAlkylation010402 general chemistryPhotochemistry01 natural sciences0104 chemical scienceslaw.inventionSingle electronchemistry.chemical_compoundchemistrylawMolybdenumPolymer chemistryMethyllithium[CHIM.COOR]Chemical Sciences/Coordination chemistryCyclic voltammetryElectron paramagnetic resonancePhosphine
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