Search results for "rr"

showing 10 items of 41198 documents

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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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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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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Water Dissociation of a Dinuclear Bis(3,5‐dimethylpyrazolyl)methane Copper(II) Complex: X‐ray Diffraction Structure, Magnetic Properties, and Charact…

2018

010405 organic chemistrychemistry.chemical_element010402 general chemistry01 natural sciencesCopperDissociation (chemistry)Antiferromagnetic couplingMethane0104 chemical sciencesInorganic ChemistryCrystallographychemistry.chemical_compoundchemistryX-ray crystallographyWater splittingEuropean Journal of Inorganic Chemistry
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A Ferrocenyl Amino Substituted Stannylene as an Intramolecular Fe→Sn Lewis Adduct

2018

010405 organic chemistrychemistry.chemical_element010402 general chemistry01 natural sciencesMedicinal chemistry0104 chemical sciencesAdductInorganic Chemistrychemistry.chemical_compoundchemistryFerroceneIntramolecular forceLewis acids and basesTinZeitschrift für anorganische und allgemeine Chemie
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New, Multi‐Dimensional Cu(tn)‐[M(CN) 6 ] n – Cyano‐Bridged, Bimetallic Coordination Materials (M = Fe II , Co III , Cr III and tn = 1,3‐Diaminopropan…

2005

Reaction of the [Fe I I I (CN) 6 ] 3 - anion with [Cu I I (tn)(H 2 O) n ] 2 + (tn = 1,3-diaminopropane) affords the compounds [{Cu I I (tn)} 2 -{Fe I I (CN) 6 }].KCl.5H 2 O (1), [(Cu"(tn))2(Fe"(CN) 6 )].4H 2 O (2), and [{Cu I I (tnH) 2 (H 2 O) 2 }{Fe I I (CN) 6 }].2H 2 O (3). Each iron center in 1 and 2 is linked to six copper(II) ions by six cyanide bridges, while each copper ion is linked to three equivalent iron(II) ions. Despite these resemblances, the two compounds present large structural differences caused by two different orientations of the Cu-NC-Fe bridges: compound 1 has a 2D structure which can be described as successions of "Cu 4 Fe 3 " defective cubane units, while compound 2 …

010405 organic chemistrychemistry.chemical_element13-DiaminopropaneBridging ligandProtonation010402 general chemistry01 natural sciencesCopper0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundParamagnetismCrystallographychemistryCubaneAntiferromagnetismBimetallic stripEuropean Journal of Inorganic Chemistry
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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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Theoretical study on the decomposition mechanism of bisphenol A polycarbonate induced by the combined effect of humidity and UV irradiation.

2020

Polycarbonate (PC) is a good material for covering and protecting cultural heritage sites because of its durability, mechanical properties, and transparency. When bisphenol A polycarbonate is subjected to weathering conditions this polymer shows several degradation processes depending on the irradiation wavelength, humidity and temperature. In particular, the combined effects of humidity and UV irradiation speed up the PC molecular weight reduction. In this work, the decomposition mechanisms associated to the hydrolysis process are scrutinized and the effects of UV irradiation on the hydrolysis process are evaluated throughout the Density Functional Theory (DFT) approach. It was found that …

010407 polymersMaterials sciencePolymersUltraviolet Rays02 engineering and technologyPhotochemistry01 natural sciencesHydrolysisDFT modeling; hydrolysis process; polycarbonate; weathering degradationMaterials ChemistryIrradiationPhysical and Theoretical ChemistryPolycarbonateBenzhydryl CompoundsSpectroscopychemistry.chemical_classificationHumidityHumidityPolymerModels Theoretical021001 nanoscience & nanotechnologyComputer Graphics and Computer-Aided DesignDecomposition0104 chemical sciencespolycarbonatechemistryhydrolysis processvisual_artvisual_art.visual_art_mediumDegradation (geology)Density functional theoryDFT modeling0210 nano-technologyweathering degradationJournal of molecular graphicsmodelling
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The effect of bone marrow-derived stem cells associated with platelet-rich plasma on the osseointegration of immediately placed implants

2020

Background Stem cells associated with growth factors have been shown to improve bone healing and the osseointegration of dental implants. A Brazilian miniature pig model was used to evaluate the effect of autologous bone marrow-derived mesenchymal stem cells (BM-MSCs) associated with platelet-rich plasma (PRP) on the osseointegration of immediately placed dental implants. Material and methods A total of four male adult miniature pigs were used in this study. BM-MSCs from each pig were isolated from the iliac crest and expanded in vitro. The undifferentiated BM-MSCs were mixed with autologous PRP and implanted in the post-extraction sockets at the experimental sites before implant placement …

010407 polymersMiniature pigbiologyBone densitybusiness.industryResearchDentistry02 engineering and technologyBone healing021001 nanoscience & nanotechnologybiology.organism_classification01 natural sciencesIliac crestOsseointegration0104 chemical sciencesmedicine.anatomical_structurePlatelet-rich plasmaBiomaterials and Bioengineering in DentistryMedicineImplantBone marrow0210 nano-technologybusinessGeneral DentistryUNESCO:CIENCIAS MÉDICASJournal of Clinical and Experimental Dentistry
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