Search results for "coordination complexes"

showing 10 items of 164 documents

Isolation, characterization, and computational studies of the novel [Mo3(mu3-Br)2(mu-Br)3Br6]2- cluster anion.

2010

The novel trimolybdenum cluster [Mo(3)(mu(3)-Br)(2)(mu-Br)(3)Br(6)](2-) (1, {Mo(3)}(9+), 9 d-electrons) has been isolated from the reaction of [Mo(CO)(6)] with 1,2-C(2)H(4)Br(2) in refluxing PhCl. The compound has been characterized in solution by electrospray ionization mass spectrometry (ESI-MS), UV-vis spectroscopy, cyclic voltammetry, and in the solid state by X-ray analysis (counter-cations: (n-Bu)(4)N(+) (1), Et(4)N(+), Et(3)BzN(+)), electron paramagnetic resonance (EPR), magnetic susceptibility measurements, and infrared spectroscopy. The least disordered (n-Bu)(4)N(+) salt crystallizes in the monoclinic space group C2/c, a = 20.077(2) A, b = 11.8638(11) A, c = 22.521(2) A, alpha = 9…

Models MolecularSpectrometry Mass Electrospray IonizationElectrospray ionizationMolecular ConformationInfrared spectroscopychemistry.chemical_elementElectronsCrystallography X-RayVibrationlaw.inventionCoordination complexInorganic ChemistryMagneticslawCoordination ComplexesPhysical and Theoretical ChemistryElectron paramagnetic resonanceSpectroscopychemistry.chemical_classificationMolybdenumBromineChemistrySpectrum AnalysisMagnetic susceptibilityCrystallographyQuantum TheoryMonoclinic crystal systemInorganic chemistry
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Coordination of Cu2+ Ions to C2 Symmetric Pseudopeptides Derived from Valine

2010

The acid-base and coordination properties of a family of pseudopeptidic ligands with C(2) symmetry derived from valine (4a-e) have been studied using a variety of techniques as a model for metal coordination in peptides and proteins. The Cu(2+) cation has been selected for coordination studies, although, for comparison, some results for Zn(2+) are also presented. Good agreement has been obtained between the results obtained by potentiometric titrations, spectroscopic analysis, and mass spectrometry (ESI) studies. These results highlight the potential for the use of ESI MS for characterizing the nature of the complex species formed. Clearly, the Cu(2+) complexes are much more stable than the…

Models MolecularSpectrometry Mass Electrospray IonizationMagnetic Resonance SpectroscopyCations DivalentChemistryStereochemistryCu2 ionsValineCrystallography X-RayInorganic ChemistryMetalZincCrystallographyCoordination ComplexesValinevisual_artvisual_art.visual_art_mediumProtonsPhysical and Theoretical ChemistrySymmetry (geometry)CopperInorganic Chemistry
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Bioinspired manganese(II) complexes with a clickable ligand for immobilisation on a solid support.

2014

International audience; Clickable ligands like N,N′-bis((pyridin-2-yl)methyl)prop-2-yn-1-amine (L1) and N-((1-methyl-1H-imidazol-2-yl)methyl)-N-(pyridin-2-ylmethyl)prop-2-yn-1-amine (L2) have been used to synthesise a series of manganese(II) complexes for grafting onto appropriate solid supports. These ligands mimic the 2-His-1-carboxylate facial chelation present in the active site of the manganese-dependent dioxygenase (MndD), while the alkyne side function allows grafting of the ligand onto an azido-functionalised support using “click chemistry” methodologies. Such synthetic analogues of the MndD crystallise in the solid state as double halide or pseudohalide-bridged dinuclear manganese(…

Models MolecularStereochemistryMolecular ConformationAlkynechemistry.chemical_elementManganese[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistryCrystallography X-RayLigands01 natural scienceslaw.inventionDioxygenasesInorganic ChemistrylawCoordination ComplexesCatalytic DomainPolymer chemistryChelationElectron paramagnetic resonanceSolid-Phase Synthesis Techniqueschemistry.chemical_classificationManganesebiology010405 organic chemistryLigand[CHIM.ORGA]Chemical Sciences/Organic chemistryElectron Spin Resonance SpectroscopyActive site[CHIM.CATA]Chemical Sciences/Catalysis[CHIM.MATE]Chemical Sciences/Material chemistrySilicon Dioxide0104 chemical scienceschemistrySuperexchangebiology.proteinClick chemistryClick ChemistryDalton transactions (Cambridge, England : 2003)
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Pyrophosphate-mediated magnetic interactions in Cu(II) coordination complexes.

2010

The reaction in water of Cu(NO(3))(2)·2.5H(2)O with 2,2'-bipyridine (bipy), 1,10-phenanthroline (phen), or 1,10-phenanthroline-5-amine (phenam), and sodium pyrophosphate (Na(4)P(2)O(7)), at various pHs, afforded three new copper(II)-pyrophosphate complexes, namely, {[Cu(bipy)(cis-H(2)P(2)O(7))](2)}·3H(2)O (1a), {[Cu(phen)(H(2)O)](4)(HP(2)O(7))(2)}(ClO(4))(2)·4H(2)O (2), and {[Cu(2)(phenam)(2)(P(2)O(7))](2)·25H(2)O}(n) (3). A solvent free crystalline phase of 1a was also isolated with formula {[Cu(bipy)(trans-H(2)P(2)O(7))](2)} (1b), which can be regarded as a pseudo-polymorph of 1a. Single crystal X-ray analyses revealed these compounds to have uncommon molecular architectures, with 3 being…

Models MolecularStereochemistryPolymersSodiumchemistry.chemical_elementCrystallography X-RayPyrophosphateInorganic Chemistrychemistry.chemical_compoundMagneticsStructure-Activity Relationship22'-DipyridylCoordination ComplexesMoleculePhysical and Theoretical ChemistryMathematical ComputingSolvent freeMolecular StructureCationic polymerizationHydrogen-Ion ConcentrationCopperDiphosphatesCrystallographychemistryThermodynamicsSingle crystalDimerizationCopperPhenanthrolinesInorganic chemistry
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Development of Bimetallic Titanocene−Ruthenium−Arene Complexes As Anticancer Agents: Relationships between Structural and Biological Properties

2010

A series of bimetallic titanium-ruthenium complexes of general formula [(η(5)-C(5)H(5))(μ-η(5):κ(1)-C(5)H(4)(CR(2))(n)PR'R'')TiCl(2)](η(6)-p-cymene)RuCl(2) (n = 0, 1, 2 or 4; R = H or Me; R' = H, Ph, or Cy; R'' = Ph or Cy) have been synthesized, including two novel compounds as well as two cationic derivatives of formula [(η(5)-C(5)H(5))(μ-η(5):κ(1)-C(5)H(4)(CH(2))(n)PPh(2))TiCl(2)] [(η(6)-p-cymene)RuCl](BF(4)) (n = 0 or 2). The solid state structure of two of these compounds was also established by X-ray crystallography. The complexes showed a cytotoxic effect on human ovarian cancer cells and were markedly more active than their Ti or Ru monometallic analogues titanocene dichloride and RA…

Models MolecularStereochemistrychemistry.chemical_elementAntineoplastic AgentsCrystal structureCrystallography X-RayRutheniumCathepsin BMetalStructure-Activity Relationshipchemistry.chemical_compoundCoordination ComplexesCell Line TumorDrug DiscoveryAnimalsHumansBimetallic stripAlkylTitaniumchemistry.chemical_classificationCationic polymerizationTitanocene dichlorideRutheniumEnzymechemistryDrug Resistance Neoplasmvisual_artvisual_art.visual_art_mediumMolecular MedicineCattleDrug Screening Assays AntitumorProtein BindingJournal of Medicinal Chemistry
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Electrical conductivity and strong luminescence in copper Iodide double chains with isonicotinato derivatives

2015

Direct reactions between CuI and isonicotinic acid (HIN) or the corresponding esters, ethyl isonicotinate (EtIN) or methyl isonicotinate (MeIN), give rise to the formation of the coordination polymers [CuI(L)] with L=EtIN (1), MeIN (2) and HIN (3). Polymers 1-3 show similar structures based on a CuI double chain in which ethyl-, methyl isonicotinate or isonicotinic acid are coordinated as terminal ligands. Albeit, their supramolecular architecture differs considerably, affecting the distances and angles of the central CuI double chains and thereby their physical properties. Hence, the photoluminescence shows remarkable differences; 1 and 2 show a strong yellow emission, whereas 3 displays a…

Models MolecularThermogravimetric analysisPhotoluminescenceLuminescencePolymersInorganic chemistrySupramolecular chemistrychemistry.chemical_elementConductivityIsonicotinic acidLigandsNiacinCatalysisCopper iodidechemistry.chemical_compoundCoordination ComplexesElectrical conductivityCarboxylateMolecular StructureStructure elucidationOrganic ChemistryElectric ConductivityGeneral ChemistryIodidesCopperCoordination polymersCrystallographychemistryLuminescenceCopper
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Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers

2013

In this work we have synthetized and characterized by X-ray diffraction five cobalt complexes with 6-thioguanine (6-ThioGH), 6-thioguanosine (6-ThioGuoH), or 2'-deoxy-6-thioguanosine (2'-d-6-ThioGuoH) ligands. In all cases, these ligands coordinate to cobalt via N7 and S6 forming a chelate ring. However, independently of reagents ratio, 6-ThioGH provided monodimensional cobalt(II) coordination polymers, in which the 6-ThioG(-) acts as bridging ligand. However, for 2'-d-6-ThioGuoH and 6-ThioGuoH, the structure directing effect of the sugar residue gives rise to mononuclear cobalt complexes which form extensive H-bond interactions to generate 3D supramolecular networks. Furthermore, with 2'-d…

Models Molecularchemistry.chemical_classificationPolymersElectric ConductivitySupramolecular chemistrychemistry.chemical_elementBridging ligandCobaltPolymerCoordination complexInorganic ChemistryMolecular wireX-Ray DiffractionchemistryCoordination ComplexesPolymer chemistryX-ray crystallographyChelationPhysical and Theoretical ChemistryThioguanineCobaltInorganic Chemistry
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Palladium(II)-Stabilized Pyridine-2-Diazotates: Synthesis, Structural Characterization, and Cytotoxicity Studies

2018

Well-defined diazotates are scarce. Here we report the synthesis of unprecedented homoleptic palladium(II) diazotate complexes. The palladium(II)-mediated nitrosylation of 2-aminopyridines with NaNO2 results in the formation of metal-stabilized diazotates, which were found to be cytotoxic to human ovarian cancer cells.

Models Molecularinorganic chemicalsCell SurvivalPyridinesPyrazine Diazohydroxidechemistry.chemical_elementAntineoplastic AgentsorganometalliyhdisteetCrystallography X-Ray010402 general chemistry01 natural sciencesInorganic ChemistryStructure-Activity Relationshipchemistry.chemical_compoundCoordination ComplexesCell Line Tumororganometallic compoundsPyridineHumansCytotoxic T cellsytotoksisuusPhysical and Theoretical ChemistryHomolepticCytotoxicityta116Cell ProliferationDose-Response Relationship DrugMolecular Structure010405 organic chemistryNitrosylationCombinatorial chemistry0104 chemical sciencesHEK293 Cellssyöpäsolutchemistrycancer cellsOvarian cancer cellscytotoxicityDrug Screening Assays AntitumorAzo CompoundsPalladiumPalladiumInorganic Chemistry
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Quantitative Analysis of the Interactions of Metal Complexes and Amphiphilic Systems: Calorimetric, Spectroscopic and Theoretical Aspects.

2022

Metals and metal-based compounds have many implications in biological systems. They are involved in cellular functions, employed in the formation of metal-based drugs and present as pollutants in aqueous systems, with toxic effects for living organisms. Amphiphilic molecules also play important roles in the above bio-related fields as models of membranes, nanocarriers for drug delivery and bioremediating agents. Despite the interest in complex systems involving both metal species and surfactant aggregates, there is still insufficient knowledge regarding the quantitative aspects at the basis of their binding interactions, which are crucial for extensive comprehension of their behavior in sol…

Molecular dynamics simulationsSpeciationCalorimetryBiochemistryBiological membraneAmphiphilic systemsKineticsMetal complexesSpectrophotometrySettore CHIM/03 - Chimica Generale E InorganicaCoordination ComplexesMetalsSolution thermodynamicsDensity functional theory calculationsDrug deliveryIsothermal titration calorimetryThermodynamicsMolecular Biologymetal complexes; amphiphilic systems; drug delivery; biological membrane; solution thermodynamics; speciation; isothermal titration calorimetry; spectrophotometry; molecular dynamics simulations; density functional theory calculationsBiomolecules
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Seaborgium's complex studies

2015

Christoph E. Dullmann reflects on the excitement, and implications, of probing the reactivity of heavy element seaborgium.

MolybdenumchemistryCoordination ComplexesComputational chemistryEntropyGeneral Chemical EngineeringSeaborgiumQuantum Theorychemistry.chemical_elementGeneral ChemistryHeavy elementElementsTungstenNature Chemistry
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