Search results for "Reti"

showing 10 items of 16256 documents

Synthesis and characterization of binuclear μ-oxalato nickel(II), copper(II) and zinc(II) complexes with 3,3′-diamino-N-methyl-dipropylamine or trans…

1999

Abstract New binuclear complexes of the type [(Ni(Medpt)NO3)2ox] (1) (Medpt=3,3′-diamino-N-methyl-dipropylamine, H2ox=oxalic acid), [(Ni(dach)2)2ox]NO3·2H2O (2) (dach=trans-1,2-diaminocyclohexane), [(Cu(Medpt))2ox]X2·yH2O (X=NO3, y=2 2/3 (3); X=ClO4, y=0 (4)) and [(Zn(dach)2)2ox](ClO4)2·2H2O (5) have been prepared and characterized by IR and UV–Vis spectroscopies. Spectroscopic data are consistent with oxalate-bridged structures between six-coordinated (N3O3 or N4O2) Ni(II) (compounds 1 or 2), five-coordinated (N3O2) Cu(II) (compounds 3 and 4) or six-coordinated (N4O2) Zn(II) (compound 5). The crystal structure of [(Cu(Medpt))2ox](NO3)2·2 2/3 H2O (3) has been determined by single-crystal X-…

010405 organic chemistryStereochemistrytrans-12-Diaminocyclohexanechemistry.chemical_elementCrystal structureZinc010402 general chemistry01 natural sciencesMagnetic susceptibilityCopper0104 chemical sciences3. Good healthInorganic Chemistrychemistry.chemical_compoundCrystallographyNickelchemistryMaterials ChemistryMoleculeDipropylaminePhysical and Theoretical ChemistryPolyhedron
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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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The Chemo- and Stereoselective Formation of Pallado- and Platinocryptophanes

2019

International audience

010405 organic chemistry[CHIM.ORGA]Chemical Sciences/Organic chemistrychemistry.chemical_element010402 general chemistry01 natural sciencesCombinatorial chemistry0104 chemical sciencesInorganic Chemistry[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistrySelf sortingchemistry[CHIM]Chemical SciencesStereoselectivity[CHIM.COOR]Chemical Sciences/Coordination chemistryComputingMilieux_MISCELLANEOUSPalladium
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Magneto-structural correlations in asymmetric oxalato-bridged dicopper(II) complexes with polymethyl-substituted pyrazole ligands

2018

Two oxalato-bridged dinuclear copper(II) complexes, [{Cu(Hdmpz)3}2(μ-ox)](ClO4)2·2H2O (1) and [{Cu(Htmpz)3}2(μ-ox)](ClO4)2·2H2O (2) (Hdmpz = 3,5-dimethyl-1H-pyrazole and Htmpz = 3,4,5-trimethyl-1H-pyrazole), have been synthesized and structurally and magnetically characterized. The crystal structures of 1 and 2 consist of asymmetric bis-bidentate μ-oxalatodicopper(II) complex cations with two short [Cu–O = 1.976(2) (1) and 1.973(2) Å (2)] and two long copper–oxygen bonds [Cu–O = 2.122(2) (1) and 2.110(2) Å (2)]. The environment at each CuII ion in 1 and 2 is closer to the trigonal bipyramidal geometry than to the square pyramidal [τ = 0.633 (1) and 0.711 (2)]. The magnetic properties of 1 a…

010405 organic chemistrychemistry.chemical_elementCrystal structurePyrazole ligandsPyrazole010402 general chemistry01 natural sciencesCopperSquare pyramidal molecular geometryAntiferromagnetic coupling0104 chemical sciencesIonCrystallographychemistry.chemical_compoundTrigonal bipyramidal molecular geometrychemistryMaterials ChemistryPhysical and Theoretical Chemistry
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Synthesis, crystal structure and magnetic properties of the cyclic tetranuclear compound [Cu4(pz)4(hppa)2(H2O)4] [pz = pyrazolate; hppa = R,S-2-hydro…

2019

Abstract The synthesis, X-ray structure and magnetic properties of the neutral tetranuclear copper(II) complex of formula [Cu4(pz)4(hppa)2(H2O)4] (1) [Hpz = pyrazole and hppa = R,S-2-hydroxo-2-phenyl-2-(1-pyrazolyl)acetate] are reported. Remarkably, the structure of 1 reveals the presence of the S- and R-forms of the new hppa ligand which is formed in situ in the complex reaction between copper(II), pyrazole and phenylmalonate in water:methanol solvent mixture under ambient conditions. The two crystallographically independent copper(II) ions [Cu(1)/Cu(2)] are five-coordinate in square pyramidal surroundings. Three nitrogen atoms, from two pz groups and one hppa ligand and one oxygen atom of…

010405 organic chemistrychemistry.chemical_elementCrystal structurePyrazole010402 general chemistry01 natural sciencesMagnetic susceptibilityCopperSquare pyramidal molecular geometry0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryMaterials ChemistryAntiferromagnetismMoleculeCarboxylatePhysical and Theoretical ChemistryPolyhedron
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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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Theoretical investigation of the spin crossover transition states of the addition of methane to a series of Group 6 metallocenes using minimum energy…

2016

International audience; Density functional calculations are reported on the addition of methane to Group 6 metallocenes, M(η-C5H5)2 (M), M(CH2(η-C5H4)2) (a-M) and M(η-C5Me5)2 (M*) where M = Mo and W. Full geometry optimisations were carried out on the singlet and triplet 16 electron complexes, 1[M] and 3[M], the η2-methane complexes, 1[M(η2-CH4)], and the hydridomethyl adducts, 1[M(CH3)(H)]. The triplet state for [M] was found to be more stable for all six metallocenes, the difference being least in the case of the ansa-bridged system. Formation of the hydridomethyl complexes was exoenergetic for all tungsten systems and for a-Mo, the other two Mo systems being endoenergetic. Minumum energy…

010405 organic chemistrychemistry.chemical_elementGeneral ChemistryElectronTungsten010402 general chemistry7. Clean energy01 natural sciencesTransition stateMethane0104 chemical sciencesAdduct[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistrychemistry.chemical_compoundchemistry13. Climate actionSpin crossoverComputational chemistryPhysical chemistry[CHIM.COOR]Chemical Sciences/Coordination chemistrySinglet stateTriplet stateJOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS
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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 {Co(II)4O4} core. In the heptacobalt(II,III)-containing polyoxometalates [Co7(OH)6(H2O)6(PW9O34)2](9-) (2), [Co7(OH)6(H2O)4(PW9O34)2]n(9n-) (3), and [Co7(OH)6(H2O)6(P2W15O56)2](15-) (4), dicubane-like {Co(II)6Co(III)O8} cores are encapsulated between two heptadentate [B…

010405 organic chemistrychemistry.chemical_elementNanotechnologyType (model theory)010402 general chemistryElectrochemistry01 natural sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryCubanePolyoxometalatePhysical and Theoretical ChemistrySpectroscopyCobaltExchange modelInorganic chemistry
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Reactivity of di-n-butyl-dicyclopentadienylzirconium towards amido stabilized stannylenes

2009

Abstract Reaction of Sn[(N(C 6 H 3 i Pr 2 -2,6)(SiMe 3 )] 2 and [{Sn(N(C 6 H 3 i Pr 2 -2,6)(SiMe 3 )(μ-Cl) 2 ] with di- n -butyl-dicyclopentadienylzirconium yielded the trimetallic a carbene-like complex {[(N(C 6 H 3 i Pr 2 -2,6)(SiMe 3 )]( n -Bu)Sn} 2 Cp 2 Zr. The oxidation of {[(N(C 6 H 3 i Pr 2 -2,6)(SiMe 3 )]( n -Bu)Sn} 2 Cp 2 Zr by oxygen gives the five-membered dioxadistannazirconacyclic complex {[(N(C 6 H 3 i Pr 2 -2,6)(SiMe 3 )]( n -Bu)Sn} 2 O 2 Cp 2 Zr.

010405 organic chemistryoxidationOrganic Chemistry[ CHIM.COOR ] Chemical Sciences/Coordination chemistrychemistry.chemical_element010402 general chemistry01 natural sciencesBiochemistryOxygenMedicinal chemistryNMR0104 chemical sciences3. Good healthInorganic ChemistrychemistryzirconoceneMaterials ChemistryReactivity (chemistry)stannylene[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical ChemistryComputingMilieux_MISCELLANEOUS
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