Search results for "Pyridine"

showing 10 items of 2516 documents

Effects of sequence, connectivity, and counter ions in new amide-linked Ru(tpy)2-Re(bpy) chromophores on redox chemistry and photophysics.

2013

New cationic metallo ligands L1-L3 based on bis(terpyridine) ruthenium(II) complexes decorated with differently substituted 2,2'-bipyridines attached via amide groups (5-NHCO-bpy, 4-CONH-bpy, 5-CONH-bpy) were prepared. Coordination of Re(I)Cl(CO)(3) fragments to the bpy unit gives the corresponding bimetallic Ru~Re complexes 1-3. Hydrogen bonds of the bridging amide groups to [PF(6)](-) counterions or to water molecules are observed both in the solid state and in solution. The impact of the amide orientation, the connecting site, and the coordination of counterions on redox and photophysical properties is explored. Both the metallo ligands L1-L3 and the bimetallic complexes 1-3 are emissive…

Models MolecularMolecular Conformationchemistry.chemical_elementPhotochemistryCrystallography X-RayRutheniumlaw.inventionInorganic Chemistrychemistry.chemical_compoundlawAmideOrganometallic CompoundsMoleculePhysical and Theoretical ChemistryElectron paramagnetic resonanceBimetallic stripIonsHydrogen bondLigandPhotochemical ProcessesAmidesRutheniumCrystallographyRheniumchemistryQuantum TheoryTerpyridineOxidation-ReductionInorganic chemistry
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Co(II) chemistry of 2,6-bis(2-pyridylcarbonyl)pyridine: an icosanuclear Co cluster exhibiting superparamagnetic relaxation.

2006

High-nuclearity transition-metal complexes (clusters) are of special interest in chemistry and physics because, both in terms of size and physical properties, they bridge the gap between the microscopic and macroscopic world, and between quantum and classical systems. In terms of size, the smallest classical nanoparticles fabricated today are the same size as the largest metal clusters that are synthesized by bottom-up methods. In terms of physical properties, certain transition-metal clusters exhibit single-molecule magnetism at low temperatures, that is, they retain their magnetization in zero field in a manner analogous to that of classical macroscopic magnets, but at the same time they …

Models MolecularMolecular StructureChemistryMagnetismStereochemistryPyridinesRelaxation (NMR)Electron Spin Resonance SpectroscopyTemperatureStereoisomerismGeneral MedicineGeneral ChemistryCobaltCrystallography X-RayLigandsCatalysisMagnetizationMagneticsChemical physicsCluster (physics)Organometallic CompoundsQuantumQuantum tunnellingSuperparamagnetismQuantum computerAngewandte Chemie (International ed. in English)
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Synthesis and reactivity of the novel hydride derivative RhHCl(TIMP3) (HTIMP3 = tris[1-(diphenylphosphino)-3-methyl-1H-indol-2-yl]methane)

2009

The reaction of HTIMP(3) (HTIMP(3) = tris[1-(diphenylphosphino)-3-methyl-1H-indol-2-yl]methane) with [RhCl(COD)](2) and Rh(acac)(CO)(2) produces RhHCl(TIMP(3)) (1H) and Rh(TIMP(3))(CO) (2), respectively, both exhibiting tetradentate kappaC,kappa(3)P-coordination of the TIMP(3) moiety. The reaction of RhHCl(TIMP(3)) with nucleophiles (L) in the presence of AgBF(4) or AgPF(6) produces different compounds depending on the nature of L. Indeed, cationic Lewis adducts of formula [RhH(L)(TIMP(3))](+) ((2H+)-(5H+)) are obtained when L is CO, CNCH(2)Ph, pyridine or CH(2)CHCN. On the other hand, when the incoming nucleophile is CH(3)COOH the hydride-free complex [Rh(CH(3)COO)(TIMP(3))](+) ((6+)) is o…

Models MolecularMolecular StructureHydrideChemistryCationic polymerizationStereoisomerismCrystallography X-RayMedicinal chemistryAdductInorganic Chemistrychemistry.chemical_compoundNucleophilePyridineOrganometallic CompoundsMoietyOrganic chemistryReactivity (chemistry)Derivative (chemistry)Dalton Transactions
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Pyrazolobenzotriazinones Derivatives as COX Inhibitors: Synthesis Biological Activity and Molecular Modeling Studies

2010

Pyrazolylbenzotriazinones are endowed with structural analogy with the COX-2 selective inhibitor celecoxib. Considering that our research group has long been interested in the 3-pyrazolyl-substituted benzotriazinones as anti-inflammatory agents, six new pyrazolylbenzotriazinone derivatives 16a-c and 18a-c have been prepared by reacting the opportune ethyl 5-(2-aminobenzamido)-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate or 5-(2-aminobenzamido)-1-(pyridin-2-yl)-1H-pyrazole-4-carboxyic acid with sodium nitrite in glacial acetic acid. The biological studies revealed a good pharmacological profile for some pyrazolylbenzotriazinones and, in the case of the ethyl 5-(4-oxo-1,2,3-benzotriazin-3(4H)-y…

Models MolecularMolecular modelAnti-Inflammatory AgentsPharmaceutical Science2-(1H-pyrazol-1-yl)pyridines 4(3H)-Benzotriazinones docking COX-2 inhibitorsCOX-2 inhibitorschemistry.chemical_compoundAcetic acidStructure-Activity Relationship4(3H)-BenzotriazinonesDrug DiscoverymedicineStructure–activity relationshipOrganic chemistryHumansSodium nitriteSulfonamidesCyclooxygenase 2 InhibitorsTriazinesBiological activitySettore CHIM/08 - Chimica FarmaceuticachemistryDocking (molecular)CelecoxibCelecoxibSettore BIO/14 - FarmacologiaPyrazolesSelectivitymedicine.drug
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Multifunctional coordination polymers based on copper with modified nucleobases, easily modulated in size and conductivity.

2019

This Accepted Manuscript will be available for reuse under a CC BY-NC-ND licence after 24 months of embargo period

Models MolecularNanoprocessingCoordination polymerPolymersSupramolecular chemistrychemistry.chemical_elementConductivity010402 general chemistry01 natural sciencesBiochemistryOxalateNucleobaseInorganic Chemistrychemistry.chemical_compoundBipyridineCoordination ComplexesCoordination polymerNucleobasesMolecular Structure010405 organic chemistryChemistryHydrogen bondQuímicaCopperMagnetic and electrical properties0104 chemical sciencesCrystallographyCopperJournal of inorganic biochemistry
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Ligand-Stabilized Au13Cux (x = 2, 4, 8) Bimetallic Nanoclusters: Ligand Engineering to Control the Exposure of Metal Sites

2013

Three novel bimetallic Au-Cu nanoclusters stabilized by a mixed layer of thiolate and phosphine ligands bearing pyridyl groups are synthesized and fully characterized by X-ray single crystal analysis and density functional theory computations. The three clusters have an icosahedral Au13 core face-capped by two, four, and eight Cu atoms, respectively. All face-capping Cu atoms in the clusters are triply coordinated by thiolate or pyridyl groups. The surface ligands control the exposure of Au sites in the clusters. In the case of the Au13Cu8 cluster, the presence of 12 2-pyridylthiolate ligands still leaves open space for catalysis. All the 3 clusters are 8-electron superatoms displaying opti…

Models MolecularPhosphinesPyridinesSurface PropertiesInorganic chemistryMetal NanoparticlesCrystal structureLigandsBiochemistryCatalysisNanoclusterschemistry.chemical_compoundColloid and Surface ChemistryCluster (physics)Sulfhydryl CompoundsBimetallic stripta214ta114LigandThermal decompositionGeneral ChemistryCrystallographychemistryQuantum TheoryDensity functional theoryGoldCopperPhosphineJournal of the American Chemical Society
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Detecting ni(ii) in aqueous solution by 3-(2-pyridyl)-[1,2,3]triazolo[1,5-a]pyridine and dimethyl-beta-cyclodextrin

2013

Abstract A new supramolecular sensitizer for nickel(II) ion in aqueous solution based on a pyridyltriazolopyridine-cyclodextrin inclusion complex is proposed. The inclusion complexation behavior, characterization and binding ability of pyridyltriazolopyridine (PTP) with dimethyl-β-cyclodextrin (DMβCD) has been investigated both in solution and solid state by means of absorption, fluorescence, 1H NMR, DSC, and molecular modeling methods. The stoichiometry of the inclusion complex is 1:1, and the thermodynamic studies indicate that the inclusion of PTP is mainly an entropic driven process. The 2D NMR studies revealed that the pyridyl-triazolopyridine is included by both sides of cyclodextrin …

Models MolecularPolymers and PlasticsPyridinesSupramolecular chemistryAnalytical chemistryMolecular ConformationDivalentchemistry.chemical_compoundNickelPyridineMaterials Chemistrychemistry.chemical_classificationAqueous solutionCyclodextrinChemistryOrganic Chemistrybeta-CyclodextrinsWaterTriazolesSolutionsProton NMRPhysical chemistrySelectivityTwo-dimensional nuclear magnetic resonance spectroscopyWater Pollutants ChemicalEnvironmental Monitoring
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Photodynamics in stable complexes composed of a zinc porphyrin tripod and pyridyl porphyrins assembled by multiple coordination bonds

2010

A tripod zinc porphyrin (TPZn(3)) forms a stable 1:1 complex with gold(III) tetra(4-pyridyl)porphyrin (AuTPyP(+)) and free-base tris(4-pyridyl)porphyrin (2H-Py(3)P) in nonpolar solvents. The strong binding of TPZn(3) with AuTPyP(+) or 2H-Py(3)P results from the encapsulation of AuTPyP(+) or 2H-Py(3)P inside the cavity of TPZn(3) through multiple coordination bonds, as indicated by UV-vis-NIR, ESI-MS, (1)H NMR, electrochemistry and computational studies. The binding constants of monomer zinc porphyrin (MPZn) with AuTPyP(+) and 2H-Py(3)P drastically decrease as compared with TPZn(3). Detailed photophysical studies have been carried out on these composites using laser flash photolysis as well …

Models MolecularPorphyrinsMetalloporphyrinsPhotochemistryPyridinesTripod (photography)General Physics and Astronomychemistry.chemical_elementZincElectrochemistryPhotochemistryPorphyrinElectron TransportElectron transferchemistry.chemical_compoundMonomerchemistryFlash photolysisSinglet statePhysical and Theoretical ChemistryPhysical Chemistry Chemical Physics
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Electrochemical synthesis and structural characterization of Co(II), Ni(II) and Cu(II) complexes of N,N-bis(4,5-dimethyl-2-hydroxybenzyl)-N-(2-pyridy…

2009

The electrochemical oxidation of anodic metal (cobalt, nickel or copper) in a cell containing an acetonitrile solution of the ligand N,N-bis(4,5-dimethyl-2-hydroxybenzyl)-N-(2-pyridylmethyl)amine (H2L) affords complexes [Co2L2].H2O (1), [Ni3L3] (2) and [Cu2L2] 3H2O (4). On using nickel as the anode and the addition to the solution electrolytic phase of the amount of water necessary to saturate the solution, the electrolytic process gave rise to the new compound [Ni2L2(H2O)1.5].CH3CN (3). Compounds 1 and 4 are dimeric and the metal atoms are pentacoordinated. Compound 3 also consists of dimeric neutral molecules with the nickel atoms in both penta- and hexacoordinated environments. The cryst…

Models MolecularPyridinesInorganic chemistrychemistry.chemical_elementCrystal structureCrystallography X-RayLigandsInorganic ChemistryMetalchemistry.chemical_compoundNickelElectrochemistryOrganometallic CompoundsMoleculeAminesAcetonitrileMolecular StructureLigandCobaltNickelCrystallographychemistryIntramolecular forcevisual_artvisual_art.visual_art_mediumCobaltOxidation-ReductionCopperDalton transactions (Cambridge, England : 2003)
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Hydrogen and Copper Ion Induced Molecular Reorganizations in Two New Scorpiand-Like Ligands Appended with Pyridine Rings

2010

The synthesis of two new ligands constituted of a tris(2-aminoethyl)amine moiety linked to the 2,6 positions of a pyridine spacer through methylene groups in which the hanging arm is further functionalized with a 2-pycolyl (L1) or 3-pycolyl (L2) group is presented. The protonation of L1 and L2 and formation of Cu(2+) complexes have been studied using potentiometric, NMR, X-ray, and kinetic experiments. The results provide new information about the relevance of molecular movements in the chemistry of this kind of so-called scorpiand ligand. The comparison between these two ligands that only differ in the position of the substituent at the arm reveals important differences in both thermodynam…

Models MolecularPyridinesLigandStereochemistryPotentiometric titrationMolecular ConformationSubstituentProtonationHydrogen-Ion ConcentrationCrystallography X-RayLigandsInorganic ChemistryKineticsCrystallographychemistry.chemical_compoundchemistryPyridineOrganometallic CompoundsMoietyAmine gas treatingPhysical and Theoretical ChemistryMethyleneCopperHydrogenInorganic Chemistry
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