0000000001299588

AUTHOR

Isabel Castro

showing 87 related works from this author

A solution study of complex formation between iron(III) and oxalate in dimethylsulphoxide

1991

The complex formation between iron(III) and oxalic acid (ethanedioic acid, H2ox) has been studied by potentiometry in dimethylsulphoxide (dmso) solution. H2ox behaves as a weak diprotic acid in such a solvent, with overall association constants: log βj1=8.551(3) and log βj2=14.242(3) at 25°C and 0.1 Mn-Bu4NClO4. A reliable set of overall stability constants for the iron(III)-oxalato complexes, log β11=13.16(4), log β12=23.66(4) and log β13=30.75(4), have been obtained for the first time under identical conditions. The electrochemical behaviour of such complexes was studied in dmso at a platinum electrode. The coordination ability of oxalate towards iron(III) in dmso and water media is compa…

Oxalic acidInorganic chemistryMetals and Alloyschemistry.chemical_elementDiprotic acidOxalateInorganic ChemistrySolventchemistry.chemical_compoundchemistryMaterials ChemistryChemical stabilityCarboxylateCyclic voltammetryPlatinumTransition Metal Chemistry
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Magnetic coupling and spin topology in linear oxalato-bridged tetranuclear chromium(III)–copper(II) complexes with aromatic diimine ligands

2013

Abstract A novel heterotetranuclear chromium(III)–copper(II) complex of formula {[CrIII(bpy)(ox)2]2CuII2(bpy)2(ox)}·6H2O (1) has been synthesized by the ligand exchange reaction between Ph4P[CrIII(bpy)(ox)2]·H2O and [CuII(bpy)2(NO3)]NO3·MeOH in methanol (bpy = 2,2′-bipyridine; ox2− = oxalate dianion). The X-ray crystal structure of 1 consists of neutral oxalato-bridged CrIII2Cu2II zigzag entities which are formed by the monodentate coordination of two [CrIII(bpy)(ox)2]− mononuclear anionic units through one of its two oxalato groups toward a [CuII2(bpy)2(ox)]2+ dinuclear cationic moiety featuring relatively long axial bonds at the square pyramidal CuII ions. Variable temperature (2.0–300 K)…

Inorganic ChemistryMagnetizationDenticitySpin statesChemistryLigandMaterials ChemistryCrystal structurePhysical and Theoretical ChemistryTopologyMagnetic susceptibilitySquare pyramidal molecular geometryDiiminePolyhedron
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ChemInform Abstract: Formation in Solution, Synthesis and Crystal Structure of μ-Oxalatobis(bis(2-pyridylcarbonyl)amido)dicopper(II).

1989

Abstract The compound μ-oxalatobis[bis(2-pyridylcarbonyl)amido] dicopper(II), [Cu 2 {(NCsH 5 CO) 2 N} 2 - (C 2 O 4 )] was synthesized and characterized by spectroscopy, EPR and diffraction methods. It crystallizes in the triclinic space group P 1 with cell constants: a =7.6793(6), b =9.238(2), c =10.007(2) A, α=83.80(1), β=68.37(1) and γ=69.44(1)°; V =617.7(3) A 3 , D (calc., Z =2)=1.80 g cm −3 , M r =667.6, F (000)=336, λ, (Mo Kα)=0.71069 A, μ (Mo Kα)=17.895 cm −1 and T =295 K. A total of 3587 data were collected over the range of 1 ⩽ θ ⩽ 30°; of these, 2391 (independent and with I⩾2σ( I )) were used in the structural analysis. The final R and R w residuals were 0.049 and 0.053, respective…

Chemistrychemistry.chemical_elementGeneral MedicineCrystal structureTriclinic crystal systemNitrogenOxalatelaw.inventionIonCrystallographychemistry.chemical_compoundPerchloratelawElectron paramagnetic resonanceSpectroscopyChemInform
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Dithiosquarate (dtsq) complexes of nickel(II). Syntheses and crystal structures of [Ni(phen)2(1,2-dtsq)]·3.5H2O, [Ni(phen)2(1,3-dtsq)] and [Ni(tren)(…

2003

Abstract The new nickel(II) complexes [Ni(phen)2(1,2-dtsq)]·3.5H2O (1), [Ni(phen)2(1,3-dtsq)] (2) and [Ni(tren)(1,2-dtsq)] (3) [1,2-dtsq=dianion of 3,4-dimercapto-3-cyclobutene-1,2-dione, 1,3-dtsq=dianion of 3-hydroxy-4-mercapto-2-thioxo-3-cyclobuten-1-one, phen=1,10-phenanthroline and tren=tris(2-aminoethyl)amine] have been synthesized and characterized by single-crystal X-ray diffraction. Their structures are made up of neutral [Ni(phen)2(1,n-dtsq)] [1 (n=2) and 2 n=3)] and [Ni(tren)(1,2-dtsq)] (3) mononuclear units. The nickel atom is six-coordinated in all three cases: four nitrogen atoms from two bidentate phen (1 and 2) or a tetradentate tren (3) groups and either two sulfur (1 and 3)…

DenticityStereochemistryPhenanthrolinechemistry.chemical_elementTris(2-aminoethyl)amineCrystal structureInorganic ChemistryBond lengthMetalchemistry.chemical_compoundCrystallographyNickelchemistryOctahedronvisual_artMaterials Chemistryvisual_art.visual_art_mediumPhysical and Theoretical ChemistryInorganica Chimica Acta
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Synthesis and magnetic properties of bis(μ-hydroxo)bis[(2,2 ′-bipyridyl)copper(II)] squarate. Crystal structure of bis(μ-hydroxo)bis[(2,2′-bipyridyl)…

1990

Abstract The compound [Cu2(bipy)2(OH)2](C4O4)·5.5H2O, where bipy and C4O42− correspond to 2,2′-bipyridyl and squarate (dianion of 3,4-dihydroxy-3-cyclo- butene-1,3-dione) respectively, has been synthesized. Its magnetic properties have been investigated in the 2–300 K temperature range. The ground state is a spin-triplet state, with a singlet-triplet separation of 145 cm−1. The EPR powder spectrum confirms the nature of the ground state. Well-formed single crystals of the tetrahydrate, [Cu2(bipy)2(OH)2](C4O4)·4H2O, were grown from aqueous solutions and characterized by X-ray diffraction. The system is triclinic, space group P 1 , with a = 9.022(2), b = 9.040(2), c = 8.409(2) A, α = 103.51(2…

TetrahydrateStereochemistrychemistry.chemical_elementCrystal structureTriclinic crystal systemMagnetic susceptibilityCopperlaw.inventionInorganic Chemistrychemistry.chemical_compoundCrystallographychemistrylawX-ray crystallographyMaterials ChemistryPhysical and Theoretical ChemistryElectron paramagnetic resonanceHydrateInorganica Chimica Acta
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Field-induced slow magnetic relaxation and magnetocaloric effects in an oxalato-bridged gadolinium(iii)-based 2D MOF

2021

The coexistence of field-induced slow magnetic relaxation and moderately large magnetocaloric efficiency in the supra-Kelvin temperature region occurs in the 2D compound [GdIII2(ox)3(H2O)6]n·4nH2O (1), a feature that can be exploited in the proof-of-concept design of a new class of slow-relaxing magnetic materials for cryogenic magnetic refrigeration.

Inorganic ChemistryMaterials scienceCondensed matter physicschemistryField (physics)Feature (computer vision)GadoliniumMagnetic refrigerationchemistry.chemical_elementMagnetic relaxationDalton Transactions
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Ligand Effects on the Structure and Magnetic Properties of Alternating Copper(II) Chains with 2,2′-Bipyrimidine- and Polymethyl-Substituted Pyrazolat…

2014

A novel series of heteroleptic copper(II) compounds of formulas {[Cu2(μ-H2O)(μ-pz)2(μ-bpm)(ClO4)(H2O)]ClO4·2H2O}n (1), {[Cu2(μ-H2O)(μ-3-Mepz)2(μ-bpm)](ClO4)2·2H2O}n (2), and {[Cu2(μ-OH)(μ-3,5-Me2pz)(μ-bpm)(H-3,5-Me2pz)2](ClO4)2}n (3) [bpm = 2,2'-bipyrimidine, Hpz = pyrazole, H-3-Mepz = 3-methylpyrazole, and H-3,5-Me2pz = 3,5-dimethylpyrazole] have been synthesized and structurally characterized by X-ray diffraction methods. The crystal structures of 1 and 2 consist of copper(II) chains with regular alternating bpm and bis(pyrazolate)(aqua) bridges, whereas that of 3 is made up of copper(II) chains with regular alternating bpm and (pyrazolate)(hydroxo) bridges. The copper centers are six- (1…

Inorganic ChemistryCrystallographychemistry.chemical_compoundchemistryOctahedronLigandStereochemistrychemistry.chemical_elementCrystal structurePhysical and Theoretical ChemistryPyrazoleCopperInorganic 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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Molecular Self-Assembly in a Family of Oxo-Bridged Dinuclear Ruthenium(IV) Systems

2020

A series of six novel RuIV compounds of formula (H2bpy)2[{RuCl5}2(μ-O)] (1), (PPh4)2[{RuCl4(H2O)}2(μ-O)]·4H2O (2), (PPh4)2[{RuCl4(MeCN)}2(μ-O)] (3), (PPh4)2[{RuCl4(dmf)}2(μ-O)] (4), (PPh4)2[{RuCl4(...

Crystallography010405 organic chemistryChemistrychemistry.chemical_elementMolecular self-assemblyGeneral Materials ScienceGeneral Chemistry010402 general chemistryCondensed Matter Physics01 natural sciences0104 chemical sciencesRutheniumCrystal Growth & Design
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Coligand Effects on the Field-Induced Double Slow Magnetic Relaxation in Six-Coordinate Cobalt(II) Single-Ion Magnets (SIMs) with Positive Magnetic A…

2019

Two mononuclear cobalt(II) compounds of formula [Co(dmphen)2(OOCPh)]ClO4·1/2H2O·1/2CH3OH (1) and [Co(dmbipy)2(OOCPh)]ClO4 (2) (dmphen = 2,9-dimethyl-1,10-phenanthroline, dmbipy = 6,6'-dimethyl-2,2'-bipyridine and HOOCPh = benzoic acid) are prepared and magnetostructurally investigated. Each cobalt(II) ion is six-coordinate with a distorted octahedral CoN4O2 environment. The complex cations are interlinked leading to supramolecular chains (1) and pairs (2) that grow along the crystallographic c-axis with racemic mixtures of (Δ,Λ)-Co units. FIRMS allowed us to directly measure the zero-field splitting between the two lowest Kramers doublets, which led to axial anisotropy values of 58.3 cm-1 ≤…

Arrhenius equation010405 organic chemistryRelaxation (NMR)chemistry.chemical_element010402 general chemistry01 natural sciences0104 chemical sciencesIonInorganic Chemistrysymbols.namesakeCrystallographyBipyridinechemistry.chemical_compoundMagnetic anisotropychemistrysymbolsPhysical and Theoretical ChemistryRaman spectroscopyAnisotropyCobaltInorganic chemistry
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Squarate and croconate in designing one- and two-dimensional oxamidato-bridged copper(II) complexes: synthesis, crystal structures and magnetic prope…

2001

Abstract The reaction of squarate (C4O42–, dianion of 3,4-dihydroxycyclobut-3-ene-1,2-dione) and croconate (C5O52–, dianion of 4,5-dihydroxycyclopent-4-ene-1,2,3-trione) with the dinuclear 〚Cu2(apox)〛2+ copper(II) complex 〚H2apox = N,N’-bis(3-aminopropyl)oxamide〛 in aqueous solution affords the compounds of formula 〚Cu2(apox)(C4O4)(H2O)2〛n·n H2O (1) and 〚Cu4(apox)2(C5O5)2〛·6 H2O (2). Crystals of 1 are monoclinic, space group C2/c, with a = 12.5527(9), b = 7.4161(6), c = 18.5198(12) A, β = 100.578(6)° and Z = 4. Crystals of 2 are triclinic, space group P 1 with a = 9.732(5), b = 9.795(2), c = 10.285(3) A, α = 84.95(2), β = 77.30(3), γ = 85.61(3)° and Z = 1. The structure of complex 1 consist…

ChemistryOxamideStereochemistrychemistry.chemical_elementGeneral ChemistryCrystal structureTriclinic crystal systemCopperSquare pyramidal molecular geometrychemistry.chemical_compoundCrystallographyOctahedronMoleculeMonoclinic crystal systemComptes Rendus de l'Académie des Sciences - Series IIC - Chemistry
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ChemInform Abstract: Synthesis and Magnetic Properties of Bis(μ-hydroxo)bis((2,2′-bipyridyl)copper(II)) Squarate. Crystal Structure of Bis(μ-hydroxo)…

1990

Abstract The compound [Cu2(bipy)2(OH)2](C4O4)·5.5H2O, where bipy and C4O42− correspond to 2,2′-bipyridyl and squarate (dianion of 3,4-dihydroxy-3-cyclo- butene-1,3-dione) respectively, has been synthesized. Its magnetic properties have been investigated in the 2–300 K temperature range. The ground state is a spin-triplet state, with a singlet-triplet separation of 145 cm−1. The EPR powder spectrum confirms the nature of the ground state. Well-formed single crystals of the tetrahydrate, [Cu2(bipy)2(OH)2](C4O4)·4H2O, were grown from aqueous solutions and characterized by X-ray diffraction. The system is triclinic, space group P 1 , with a = 9.022(2), b = 9.040(2), c = 8.409(2) A, α = 103.51(2…

Aqueous solutionTetrahydrateChemistrychemistry.chemical_elementGeneral MedicineCrystal structureTriclinic crystal systemAtmospheric temperature rangeCopperlaw.inventionCrystallographychemistry.chemical_compoundlawElectron paramagnetic resonanceGround stateChemInform
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Reversible solvatomagnetic switching in a single-ion magnet from an entatic state

2016

We have developed a new strategy for the design and synthesis of multifunctional molecular materials showing reversible magnetic and optical switching.

Thermochromismgenetic structuresSingle ion010405 organic chemistryChemistrychemistry.chemical_elementEntatic stateNanotechnologyGeneral Chemistryequipment and supplies010402 general chemistry01 natural scienceseye diseases0104 chemical sciencesChemistryTransition metalMagnetMagnetic relaxationhuman activitiesCobaltQuantum computerChemical Science
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Field-induced slow relaxation of magnetisation in two one-dimensional homometallic dysprosium(iii) complexes based on alpha- and beta-amino acids.

2020

Two one-dimensional dysprosium(III) complexes based on α-glycine (gly) and β-alanine (β-ala) amino acids, with the formula {[Dy2(gly)6(H2O)4](ClO4)6·5H2O}n (1) and {[Dy2(β-ala)6(H2O)4](ClO4)6·H2O}n (2), have been synthesised and characterised structurally and magnetically. Both compounds crystallise in the triclinic system with the space group P. In 1, two DyIII ions are eight-coordinate and bound to six oxygen atoms from six gly ligands and two oxygen atoms from two water molecules, showing different geometries (bicapped trigonal prism and square antiprism). In 2, two DyIII ions are nine-coordinate and bound to seven oxygen atoms from six β-ala ligands and two oxygen atoms from two water m…

Models MolecularMolecular StructureMagnetic PhenomenaRelaxation (NMR)chemistry.chemical_elementTriclinic crystal systemCrystallography X-RayMagnetic susceptibilitySquare antiprismInorganic ChemistryCrystalCrystallographyMagnetizationchemistryCoordination ComplexesDysprosiumDysprosiumMoleculeAmino AcidsDalton transactions (Cambridge, England : 2003)
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Field-Induced Hysteresis and Quantum Tunneling of the Magnetization in a Mononuclear Manganese(III) Complex

2013

International audience

[PHYS]Physics [physics]Field (physics)Condensed matter physicsChemistry010405 organic chemistrychemistry.chemical_elementGeneral ChemistryManganeseGeneral Medicine010402 general chemistry01 natural sciencesCatalysislaw.invention0104 chemical sciencesHysteresisMagnetizationNuclear magnetic resonancelawElectron paramagnetic resonanceQuantum tunnellingComputingMilieux_MISCELLANEOUS
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Reversible Solvatomagnetic Switching in a Spongelike Manganese(II)-Copper(II) 3D Open Framework with a Pillared Square/Octagonal Layer Architecture

2012

The concept of "molecular magnetic sponges" was introduced for the first time in 1999 by the creative imagination of the late Olivier Kahn. It refers to the exotic spongelike behavior of certain molecule-based materials that undergo a dramatic change of their magnetic properties upon reversible dehydration/rehydration processes. Here we report a unique example of a manganese(II)-copper(II) mixed-metal-organic framework of formula [Na(H(2)O)(4)](4)[Mn(4){Cu(2)(mpba)(2)(H(2)O)(4)}(3)]·56.5H(2)O (1) (mpba=N,N'-1,3-phenylenebis(oxamate)). Compound 1 possesses a 3D Mn(II)(4)Cu(II)(6) pillared layer structure with mixed square and octagonal pores of approximate dimensions 1.2×1.2 nm and 2.1×3.0 n…

X-ray absorption spectroscopyOrganic Chemistrychemistry.chemical_elementGeneral ChemistryManganeseCatalysisAmorphous solidlaw.inventionCrystalCrystallographyFerromagnetismchemistrylawPhase (matter)Organic chemistryMetal-organic frameworkCrystallizationChemistry - A European Journal
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Manganese(iv) oxamato-catalyzed oxidation of secondary alcohols to ketones by dioxygen and pivalaldehyde

1998

A new manganese(IV) oxamato complex possessing a bis(moxo) dimanganese core has been synthesized, magnetically and structurally characterized, and found to catalyze the aerobic oxidation of secondary alcohols to ketones with cooxidation of pivalaldehyde to pivalic acid with good yields and high selectivities. Ruiz Garcia, Rafael, Rafael.Ruiz@uv.es ; Fernandez Picot, Isabel, Isabel.Fernandez@uv.es ; Pedro Llinares, Jose Ramon, Jose.R.Pedro@uv.es ; Rosello Arce, Antonio Luis, Antonio.L.Rosello@uv.es ; Castro Bleda, Isabel, Isabel.Castro@uv.es

ManganesePivalic acidDioxygenUNESCO::QUÍMICA::Química inorgánicaUNESCO::QUÍMICAMetals and Alloyschemistry.chemical_elementGeneral ChemistryManganeseKetones:QUÍMICA::Química inorgánica [UNESCO]:QUÍMICA [UNESCO]CatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCatalysischemistry.chemical_compoundchemistryAlcoholsOxidationMaterials ChemistryCeramics and CompositesOxidation of secondary alcohols to ketonesOrganic chemistryManganese ; Oxidation ; Alcohols ; Ketones ; Dioxygen
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Synyhesis, structure, spectroscopy and redox chemistry of square-planar nickel(II) complexes with tetradentate o-phenylenedioxamidates and related li…

2005

[EN] A series of four-coordinate square-planar nickel(II) complexes of o-phenylenebis(N¿-methyloxamidate) (L1) and related o-phenylene(N¿-methyloxamidate)oxamate (L2) and o-phenylenebis(oxamate) (L3) tetradentate ligands have been synthesized and characterized structurally, spectroscopically and electrochemically. The parent nickel(II)¿L1 complex presents an intense MLCT band in the UV region (¿max = 357 nm) and a distinctive 1 s ¿ 4p CT satellite in the Ni K-edge XANES spectrum (E = 8339.2 eV). These features together with the short Ni¿N(amidate) bond lengths (1.85¿1.93 Å) as revealed by the analysis of the Ni K-edge EXAFS spectrum and confirmed by single-crystal X-ray diffraction are typi…

Models MolecularMagnetic Resonance SpectroscopySpectrophotometry Infraredchemistry.chemical_elementPhenylenediaminesCrystallography X-RayLigandsPhotochemistrySensitivity and SpecificityRedoxlaw.inventionInorganic Chemistrychemistry.chemical_compoundNickellawElectrochemistryOrganometallic CompoundsMoleculeAcetonitrileElectron paramagnetic resonanceOxalatesMolecular StructureExtended X-ray absorption fine structureLigandElectron Spin Resonance SpectroscopySpectrometry X-Ray EmissionStereoisomerismBond lengthNickelCrystallographychemistryFISICA APLICADASpectrophotometry UltravioletOxidation-Reduction
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Formation in solution, synthesis and crystal structure of μ-oxalatobis[bis(2-pyridylcarbonyl)amido] dicopper(II)

1989

Abstract The compound μ-oxalatobis[bis(2-pyridylcarbonyl)amido] dicopper(II), [Cu 2 {(NCsH 5 CO) 2 N} 2 - (C 2 O 4 )] was synthesized and characterized by spectroscopy, EPR and diffraction methods. It crystallizes in the triclinic space group P 1 with cell constants: a =7.6793(6), b =9.238(2), c =10.007(2) A, α=83.80(1), β=68.37(1) and γ=69.44(1)°; V =617.7(3) A 3 , D (calc., Z =2)=1.80 g cm −3 , M r =667.6, F (000)=336, λ, (Mo Kα)=0.71069 A, μ (Mo Kα)=17.895 cm −1 and T =295 K. A total of 3587 data were collected over the range of 1 ⩽ θ ⩽ 30°; of these, 2391 (independent and with I⩾2σ( I )) were used in the structural analysis. The final R and R w residuals were 0.049 and 0.053, respective…

StereochemistryCrystal structureTriclinic crystal systemOxalatelaw.inventionInorganic Chemistrychemistry.chemical_compoundCrystallographyPerchloratechemistrylawX-ray crystallographyMaterials ChemistryMoleculeChemical stabilityPhysical and Theoretical ChemistryElectron paramagnetic resonanceInorganica Chimica Acta
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Synthesis, crystal structure and magnetic properties of the first structurally characterized 1,2-dithiocroconato-containing Cu(II) complex, [Cu(bpca)…

1996

Abstract The first crystal and molecular structure of a transition metal complex containing 1,2-dithiocroconate (1,2-dtcr, dianion of 1,2-dimercaptocylopent-1-ene-3,4,5-trione), [Cu(bpca)(H2O)]2[Cu(1,2-dtcr)2]·2H2O (where bpca is the bis(2-pyrdidylcarbonyl)amide anion), has been determined by single crystal X-ray diffraction methods. The compound crystallizesin the monoclinic syste, space group P21/c, with a = 11.661(3), b = 20.255(6), c = 8.265(3) A , s = 107.26(2)° and Z = 2. The structure is formally built of [Cu(1,2-dtcr)2]2− and [Cu(bpca)(H2O)]+ ions and water of hydration. The copper atom of the anion is situated at a crystallographic inversion centre, bonded to four sulfur atoms in a…

Chemistrychemistry.chemical_elementCrystal structureMagnetic susceptibilityCopperInorganic ChemistryCrystallographyTransition metalFormula unitMaterials ChemistryMoleculePhysical and Theoretical ChemistrySingle crystalMonoclinic crystal systemInorganica Chimica Acta
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Ferromagnetic coupling and magnetic anisotropy in oxalato-bridged trinuclear chromium(iii)-cobalt(ii) complexes with aromatic diimine ligands

2010

Two novel heterotrinuclear chromium(III)-cobalt(II) complexes of formula {[Cr(III)(bpy)(ox)(2)](2)Co(II)(Me(2)bpy)}.2H(2)O (1) and {[Cr(III)(phen)(ox)(2)](2)Co(II)(Me(2)bpy)}.1.5H(2)O (2) [ox = oxalato, bpy = 2,2'-bipyridine, Me(2)bpy = 6,6'-dimethyl-2,2'-bipyridine, and phen = 1,10-phenanthroline] have been synthesized using the "complex-as-ligand/complex-as-metal" strategy. The X-ray crystal structure of 2 consists of neutral oxalato-bridged Cr(III)(2)Co(II) bent entities formed by the coordination of two anionic [Cr(III)(phen)(ox)(2)](-) complexes through one of their oxalato groups toward a cationic cis-[Co(II)(Me(2)bpy)](2+) complex. The three tris(chelated), six-coordinated metal atom…

ChromiumModels MolecularOxalatesMolecular StructureChemistryStereochemistrySupramolecular chemistryStereoisomerismCobaltCrystal structureCrystallography X-RayLigandsMagnetic susceptibilityInorganic ChemistryMagneticsCrystallographyMagnetic anisotropyIntramolecular forceOrganometallic CompoundsAnisotropyAntiferromagnetismMolecular orbitalIminesDiimineDalton Trans.
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Biomimetic Mn-catalases based on dimeric manganese complexes in mesoporous silica for potential antioxidant agent

2015

Two new structural and functional models of the Mn-catalase with formula [{Mn(III)(bpy)(H2O)}(μ-2-MeOC6H4CO2)2(μ-O){Mn(III)(bpy)(X)}]X, where X = NO3 (1) and ClO4 (2) and bpy = 2,2'-bipyridine, were synthesized and characterized by X-ray diffraction. In both cases, a water molecule and an X ion occupy the monodentate positions. The magnetic properties of these compounds reveal a weak antiferromagnetic behavior (2J = -2.2 cm(-1) for 1 and -0.7 cm(-1) for 2, using the spin Hamiltonian H = -2J S1·S2) and negative zero-field splitting parameter DMn (-4.6 cm(-1) and -3.0 cm(-1) for 1 and 2, respectively). This fact, together with the nearly orthogonal orientation of the Jahn-Teller axes of the M…

DenticitySilicon dioxideInorganic chemistrychemistry.chemical_elementManganeseCrystallography X-Ray010402 general chemistryLigands01 natural sciencesAntioxidantsCoordination complexBioinorganic chemistryInorganic ChemistryBipyridinechemistry.chemical_compoundBiomimeticsMoleculeManganèsPhysical and Theoretical ChemistryMaterialsComputingMilieux_MISCELLANEOUSchemistry.chemical_classificationManganese010405 organic chemistryPhotoelectron SpectroscopyMesoporous silicaQuímica bioinorgànicaCatalaseSilicon Dioxide0104 chemical sciences[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryCrystallographyLligandschemistryHybrid materialDimerization
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Alcohol oxidation by dioxygen and aldehydes catalysed by square-planar cobalt(III) complexes of disubstituted oxamides and related ligands

2001

The square-planar cobalt(III) complexes of o-phenylenebis(N′-methyloxamidate) (Me2opba) and related oxamate (Meopba) and bis(oxamate) (opba) ligands catalyse the selective oxidation, by dioxygen and pivalaldehyde, of a wide range of secondary alcohols to the corresponding ketones, in good yields and under mild conditions in acetonitrile at room temperature. Thus, the oxidation of the series of α-alkylbenzyl alcohols PhCH(OH)R (R = Me, Et, iPr, tBu) results in the exclusive formation of ketones as a product of C−H bond cleavage, and no C−C bond cleavage products are observed in any case. The modulation of catalytic activity by ligand substituents among this series of cobalt catalysts highlig…

LigandHydrideOrganic ChemistrySubstituentchemistry.chemical_elementPhotochemistryMedicinal chemistryCatalysisElectron transferchemistry.chemical_compoundchemistryAlcohol oxidationPhysical and Theoretical ChemistryCobaltBond cleavage
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Iron(iii) oxamato-catalyzed epoxidation of alkenes by dioxygen and pivalaldehyde

1997

A new iron(III)–carbonato monomeric complex of orthophenylenebis( oxamato) (opba) 1 is synthesized, and spectroscopically and structurally characterized; it is a moderately efficient non-heme catalyst for the aerobic epoxidation of alkenes with co-oxidation of pivalaldehyde. Ruiz Garcia, Rafael, Rafael.Ruiz@uv.es ; Fernandez Picot, Isabel, Isabel.Fernandez@uv.es ; Pedro Llinares, Jose Ramon, Jose.R.Pedro@uv.es

inorganic chemicalsDioxygenUNESCO::QUÍMICA::Química inorgánicaUNESCO::QUÍMICAorganic chemicalsIronMetals and AlloysIron ; Dioxygen ; Orthophenylenebis ; Catalyst ; PivalaldehydeGeneral Chemistry:QUÍMICA::Química inorgánica [UNESCO]:QUÍMICA [UNESCO]CatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCatalysischemistry.chemical_compoundMonomerchemistryPolymer chemistryMaterials ChemistryCeramics and Compositesheterocyclic compoundsCatalystOrthophenylenebisPivalaldehyde
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Slow magnetic relaxation in carbonato-bridged dinuclear lanthanide(iii) complexes with 2,3-quinoxalinediolate ligands

2012

The coordination chemistry of the 2,3-quinoxalinediolate ligand with different lanthanide(iii) ions in basic media in air affords a new family of carbonato-bridged M 2 III compounds (M = Pr, Gd and Dy), the Dy 2 III analogue exhibiting slow magnetic relaxation behaviour typical of single-molecule magnets. This journal is © 2012 The Royal Society of Chemistry.

Lanthanidechemistry.chemical_classificationLigandChemistryInorganic chemistryMetals and AlloysGeneral ChemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIonCoordination complexCrystallographyMagnetMaterials ChemistryCeramics and CompositesMagnetic relaxationChemical Communications
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Detection of Hypoxanthine from Inosine and Unusual Hydrolysis of Immunosuppressive Drug Azathioprine through the Formation of a Diruthenium(III) Syst…

2021

Hypoxanthine (hpx) is an important molecule for both biochemistry research and biomedical applications. It is involved in several biological processes associated to energy and purine metabolism and has been proposed as a biomarker for a variety of disease states. Consequently, the discovery and development of systems suitable for the detection of hypoxanthine is pretty appealing in this research field. Thus, we have obtained a stable diruthenium (III) compound in its dehydrated and hydrated forms with formula [{Ru(&micro

Models MolecularPurinelcsh:BiotechnologyClinical BiochemistryMolecular Conformationchemistry.chemical_elementinosine02 engineering and technology010402 general chemistry01 natural sciencesArticleHydrolysischemistry.chemical_compoundX-Ray DiffractionLimit of Detectionlcsh:TP248.13-248.65medicineMolecule6-mercaptopurinerutheniumInosinePurine metabolismHypoxanthineazathioprineHydrolysisGeneral Medicine021001 nanoscience & nanotechnologyCombinatorial chemistry0104 chemical sciencesRutheniumchemistryPurineshypoxanthineMicroscopy Electron ScanningbiomarkerCyclic voltammetry0210 nano-technologyImmunosuppressive Agentsmedicine.drugBiosensors
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Crystal structures and magnetic properties of the squarate-O1,On-bridged dinuclear copper(II) complexes [Cu2(phen)4(C4O4)](CF3SO3)2 · 3H2O (n=2) and …

1999

Abstract Two dinuclear copper(II) complexes of the formula [Cu2(phen)4(C4O4)](CF3SO3)2 · 3H2O (1) and [Cu2(bipy)4(C4O4)](CF3SO3)2 · 6H2O (2) [phen=1,10-phenanthroline, bipy=2,2′-bipyridine and C4O4 2−=dianion of 3,4-dihydroxy-3-cyclobuten-1,2-dione (squaric acid)] have been synthesized and characterized by single-crystal X-ray diffraction. Their structures consist of [Cu2(phen)4(C4O4)]2+ (1) and [Cu2(bipy)4(C4O4)]2+ (2) dinuclear copper(II) cations, uncoordinated CF3SO3 − anions and crystallization water molecules. The copper is in a distorted square pyramidal environment: one squarate-oxygen atom and three phen- (1) or bipy- (2) nitrogen atoms of two phen (1) or bipy (2) terminal ligands f…

Denticitychemistry.chemical_elementSquaric acidCrystal structureCopperMagnetic susceptibilitySquare pyramidal molecular geometryInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryIntramolecular forceMaterials ChemistryMoleculePhysical and Theoretical ChemistryInorganica Chimica Acta
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Ferro- and Antiferromagnetic Interactions in Oxalato-Centered Inverse Hexanuclear and Chain Copper(II) Complexes with Pyrazole Derivatives.

2021

Two novel copper(II) complexes of formulas {[Cu(4-Hmpz)4][Cu(4-Hmpz)2(µ3-ox-κ2O1,O2:κO2′:κO1′)(ClO4)2]}n (1) and {[Cu(3,4,5-Htmpz)4]2[Cu(3,4,5-Htmpz)2(µ3-ox-κ2O1,O2:κO2′:κO1′)(H2O)(ClO4)]2[Cu2(3,4,5-Htmpz)4(µ-ox-κ2O1,O2:κ2O2′,O1′)]}(ClO4)4·6H2O (2) have been obtained by using 4-methyl-1H-pyrazole (4-Hmpz) and 3,4,5-trimethyl-1H-pyrazole (3,4,5-Htmpz) as terminal ligands and oxalate (ox) as the polyatomic inverse coordination center. The crystal structure of 1 consists of perchlorate counteranions and cationic copper(II) chains with alternating bis(pyrazole)(µ3-κ2O1,O2:κO2′:κO1′-oxalato)copper(II) and tetrakis(pyrazole)copper(II) fragments. The crystal structure of 2 is made up of perchlorat…

crystal structurePharmaceutical Sciencechemistry.chemical_elementCrystal structurePyrazoleOxalateArticleAnalytical ChemistryPerchloratechemistry.chemical_compoundQD241-441TheoryofComputation_ANALYSISOFALGORITHMSANDPROBLEMCOMPLEXITYDrug DiscoveryAntiferromagnetismPhysical and Theoretical Chemistrypolynuclear complexesOrganic ChemistryPolyatomic ioninverse coordination chemistryoxalatoCopperpyrazoleCrystallographycoordination polymerschemistryChemistry (miscellaneous)Intramolecular forcecopperMolecular Medicinemagnetic propertiesMolecules (Basel, Switzerland)
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Solution chemistry of N,N'-ethylenebis(salicylideneimine) and its copper(II), nickel(II) and iron(III) complexes

1991

Abstract Potentiometric determination of protonation-deprotonation equilibria of the N,N'-ethylenebis(salicylideneimine) (H2sal2en), the related N-(2-aminoethyl)salicylideneimine, (Hsalen), and their organic fragments, salicylaldehyde (Hsal) and ethylenediamine (en), has been used to study the equilibria involved in the formation of Schiff bases from Hsal, sal− and en and in their complex formation with copper(II), nickel(II) and iron(III) ions in dimethyl sulfoxide (dmso)-water (80:20 wt./wt.) mixture (25 °C and 0.1 mol dm−3 KClO4 ionic strength): en+Hsal⇔Hsalen; en+2Hsal⇔H2sal2en; en+ sal−⇔salen−; en+2sal−⇔sal2en2−; sal−+en+MN+⇔[M(salen)](n−1)+; 2sal−+en+Mn+⇔ [M(sal2en)](n−2)+. In these t…

Schiff baseLigandInorganic chemistrychemistry.chemical_elementEthylenediamineProtonationMedicinal chemistryCopperInorganic Chemistrychemistry.chemical_compoundNickelchemistrySalicylaldehydeMaterials ChemistryChelationPhysical and Theoretical ChemistryInorganica Chimica Acta
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Theoretical Insights into the Ferromagnetic Coupling in Oxalato-Bridged Chromium(III)-Cobalt(II) and Chromium(III)-Manganese(II) Dinuclear Complexes …

2012

Two novel heterobimetallic complexes of formula [Cr(bpy)(ox)(2)Co(Me(2)phen)(H(2)O)(2)][Cr(bpy)(ox)(2)]·4H(2)O (1) and [Cr(phen)(ox)(2)Mn(phen)(H(2)O)(2)][Cr(phen)(ox)(2)]·H(2)O (2) (bpy = 2,2'-bipyridine, phen = 1,10-phenanthroline, and Me(2)phen = 2,9-dimethyl-1,10-phenanthroline) have been obtained through the "complex-as-ligand/complex-as-metal" strategy by using Ph(4)P[CrL(ox)(2)]·H(2)O (L = bpy and phen) and [ML'(H(2)O)(4)](NO(3))(2) (M = Co and Mn; L' = phen and Me(2)phen) as precursors. The X-ray crystal structures of 1 and 2 consist of bis(oxalato)chromate(III) mononuclear anions, [Cr(III)L(ox)(2)](-), and oxalato-bridged chromium(III)-cobalt(II) and chromium(III)-manganese(II) din…

Chromate conversion coatingChemistryStereochemistryCationic polymerizationchemistry.chemical_elementManganeseCrystal structureMedicinal chemistryInorganic ChemistryChromiumMoietyPhysical and Theoretical ChemistryCobaltDiimineInorganic Chemistry
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Tuning up the Tc in Mn(II)Cu(II) bimetallic planes and design of molecular-based magnets

1998

Abstract A family of related compounds of general formula (PPh4)2Mn2[Cu((L)]3nH2O, where PPh4+ is the tetraphenylphosphonium cation and L stands for ortho-phenylenebis(oxamate) (opba, 1), ortho-phenylene (N′-methyloxamidate) (oxamate) (Meopba, 2) and ortho-phenylenebis (N′-methyloxamidate) (Me2opba, 3), have been synthesized. The X-ray absorption near-edge structure (XANES) and extended X-ray Within absorption fine structure (EXAFS) spectra at both Mn and Cu K-edges for all three compounds, as well as their powder X-ray patterns, are consistent with a layered structure built up of parallel Mn11Cu11 two-dimensional honeycomb networks separated by PPh4+ cations. Within the antonic metallic la…

Extended X-ray absorption fine structurechemistry.chemical_elementManganeseAtmospheric temperature rangeXANESInorganic ChemistryCrystallographychemistryFerromagnetismOctahedronFerrimagnetismMaterials ChemistryPhysical and Theoretical ChemistryNéel temperatureInorganica Chimica Acta
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Cu(II) and Cu(I) complexes with 1,2-dithiosquarate as a ligand; from molecular compounds to supramolecular network structures

2008

Abstract Four new complexes of copper(II) and/or copper(I) with 1,2-dtsq as a ligand have been synthesized and characterized by single crystal X-ray diffraction methods, [CuII(terpy)(1,2-dtsq)] (1), [CuII(dmen)(1,2-dtsq)]n (2), {[CuII(dmen)2][CuI(1,2-dtsq)]2}n·2nH2O(3) and {[CuII(men)2][CuI (1,2-dtsq)]2}n·nH2O (4) (1,2-dtsq = 1,2-dithiosquarate, dianion of 3,4-dimercapto-1-cyclobutene-1,2-dione; dmen = N,N-dimethylethylenediamine; men = N-methylethylenediamine, terpy = 2,2′:6,2″-terpyridine). Compound 1 consists of neutral [CuII(terpy)(1,2-dtsq)] mononuclear units which are held together by O⋯H–C and van der Waals interactions. Compound 2 is built of neutral [CuII(dmen)(1,2-dtsq)] entities …

DenticityCoordination sphereChemistryLigandOrganic ChemistrySupramolecular chemistrychemistry.chemical_elementCrystal structureCopperAnalytical ChemistryInorganic Chemistrysymbols.namesakeCrystallographysymbolsvan der Waals forceSingle crystalSpectroscopyJournal of Molecular Structure
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Dinuclear copper(II) complexes as testing ground for molecular magnetism theory

2019

Abstract A leitmotiv in the field of molecular magnetism is the study of the electron exchange (EE) magnetic interactions among distant metal centers through the corresponding bridging ligands in polynuclear coordination compounds. The present review provides a historical perspective on the use of dinuclear copper(II) complexes with either simple inorganic or extended organic bridging ligands as experimental and theoretical models for the fundamental research on the relative importance of the spin delocalization and spin polarization mechanisms of the EE interaction across σ- and π-type orbital pathways. Particular focus is placed on the work by Professor Miguel Julve, outstanding researche…

chemistry.chemical_classificationSpin polarization010405 organic chemistryMagnetismElectron exchangeTheoretical modelschemistry.chemical_element010402 general chemistry01 natural sciencesCopper0104 chemical sciencesCoordination complexInorganic ChemistryDelocalized electronCrystallographychemistryMaterials ChemistryPhysical and Theoretical ChemistryPolyhedron
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A Gadolinium(III) Complex Based on the Thymine Nucleobase with Properties Suitable for Magnetic Resonance Imaging

2021

The paramagnetic gadolinium(III) ion is used as contrast agent in magnetic resonance (MR) imaging to improve the lesion detection and characterization. It generates a signal by changing the relaxivity of protons from associated water molecules and creates a clearer physical distinction between the molecule and the surrounding tissues. New gadolinium-based contrast agents displaying larger relaxivity values and specifically targeted might provide higher resolution and better functional images. We have synthesized the gadolinium(III) complex of formula [Gd(thy)2(H2O)6](ClO4)3·2H2O (1) [thy = 5-methyl-1H-pyrimidine-2,4-dione or thymine], which is the first reported compound based on gadolinium…

crystal structureMaterials scienceMagnetometerQH301-705.5GadoliniumContrast Mediachemistry.chemical_elementmetal complexesCrystallography X-Ray010402 general chemistry01 natural sciencesArticleCatalysisIonNucleobaselaw.inventionInorganic Chemistrymagnetic resonanceMagneticsParamagnetismchemistry.chemical_compoundNuclear magnetic resonanceHeterocyclic CompoundslawthyminemedicineMoleculePhysical and Theoretical ChemistryBiology (General)Molecular BiologyQD1-999SpectroscopyMolecular Structuremedicine.diagnostic_test010405 organic chemistryOrganic ChemistryWaterMagnetic resonance imagingGeneral Medicinecontrast agentMagnetic Resonance Imaging0104 chemical sciencesComputer Science ApplicationsThymineChemistrychemistryrelaxivityProtonsgadolinium
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Potentiometric study of the formation of hydroxo complexes of [Cu(terpy)]2+. Synthesis and crystal structure of [Cu(terpy) (H2O)](CF3SO3)2

1992

Two complexes of formula [Cu(terpy)(H2O)](CF3SO3)2 (1) and [Cu(terpy)(OH)]BPh4 (2) (terpy=2,2′∶6′,2″-terpyridine and BPh4=tetraphenylborate anion) have been synthesized and characterized by spectroscopic techniques. The x-ray crystal structure of (1) has been determined by x-ray diffraction. The structure is made up of [Cu(terpy)(H2O)]2+ mononuclear cations plus semi-coordinated CF3SO3 − anions. The coordination geometry around the copper atom is approximately elongated tetragonal octahedral. The oxygen atom of water and the three nitrogen atoms of terpy occupy the equatorial sites whereas the apical ones are filled by trifluoromethanesulphonate oxygen atoms. The formation of hydroxo comple…

TetraphenylborateChemistryStereochemistryMetals and AlloysCrystal structureInorganic ChemistryCrystallographychemistry.chemical_compoundOctahedronX-ray crystallographyMaterials ChemistryMoleculeTerpyridineOrganometallic chemistryCoordination geometryTransition Metal Chemistry
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Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal-organic framework.

2015

Single-ion magnets (SIMs) are the smallest possible magnetic devices for potential applications in quantum computing and high-density information storage. Both, their addressing in surfaces and their organization in metal-organic frameworks (MOFs) are thus current challenges in molecular chemistry. Here we report a two-dimensional 2D MOF with a square grid topology built from cobalt(ii) SIMs as nodes and long rod-like aromatic bipyridine ligands as linkers, and exhibiting large square channels capable to host a large number of different guest molecules. The organization of the cobalt(ii) nodes in the square layers improves the magnetic properties by minimizing the intermolecular interaction…

Square tiling010405 organic chemistryIntermolecular forcechemistry.chemical_elementNanotechnologyGeneral Chemistry010402 general chemistry01 natural sciences0104 chemical sciencesCrystallographyBipyridinechemistry.chemical_compoundchemistryMagnetMoleculeMetal-organic frameworkCobaltTopology (chemistry)Chemical science
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Solid-state dinuclear-to-trinuclear conversion in an oxalato-bridged chromium(III)-cobalt(II) complex as a new route toward single-molecule magnets.

2011

A novel bis(oxalato)chromium(III) salt of a ferromagnetically coupled, oxalato-bridged dinuclear chromium(III)-cobalt(II) complex of formula [CrL(ox)(2)CoL'(H(2)O)(2)][CrL(ox)(2)]·4H(2)O (1) has been self-assembled in solution using different aromatic α,α'-diimines as blocking ligands, such as 2,2'-bipyridine (L = bpy) and 2,9-dimethyl-1,10-phenanthroline (L' = Me(2)phen). Thermal dehydration of 1 leads to an intriguing solid-state reaction between the S = 3/2 Cr(III) anions and the S = 3 Cr(III)Co(II) cations to give a ferromagnetically coupled, oxalato-bridged trinuclear chromium(III)-cobalt(II) complex of formula {[CrL(ox)(2)](2)CoL'} (2). Complex 2 possesses a moderately anisotropic S =…

chemistry.chemical_classificationChromiumModels MolecularOxalatesSolid-stateMolecular Conformationchemistry.chemical_elementSalt (chemistry)StereoisomerismStereoisomerismCobaltInorganic ChemistryCrystallographyBipyridinechemistry.chemical_compoundChromiumMagneticschemistryOrganometallic CompoundsMoleculePhysical and Theoretical ChemistryGround stateCobaltInorganic chemistry
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Molecular magnetism, quo vadis? A historical perspective from a coordination chemist viewpoint☆

2017

Abstract Molecular magnetism has travelled a long way from the pioneering studies on electron exchange and double exchange or spin crossover and valence tautomerism in small oligonuclear complexes, from mono- to di- and tetranuclear species, to the current investigations about magnetic anisotropy and spin dynamics or quantum coherence of simple mono- or large polynuclear complexes, behaving as switchable bistable molecular nanomagnets for potential applications in information data storage and processing. In this review, we focus on the origin and development of the research in the field of molecular magnetism from a coordination chemistry viewpoint, which dates back to the establishment of …

chemistry.chemical_classificationValence (chemistry)Spintronics010405 organic chemistryMagnetismNanotechnology010402 general chemistry01 natural sciences0104 chemical sciencesCoordination complexInorganic ChemistrychemistrySpin crossoverMagnetochemistryMaterials ChemistryPhysical and Theoretical ChemistryQuantumQuantum computerCoordination Chemistry Reviews
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Synthesis, spectroscopic and structural characterization of [Cu(phen)(C5O5)(H2O)]·H2O, [Ni(terpy)(C5O5)(H2O)]·H2O and [Ni(terpy)2](NO3)2·0.5H2O

2005

Abstract The new mononuclear complexes [Cu(phen)(C5O5)(H2O)]·H2O (1), [Ni(terpy)(C5O5)(H2O)]·H2O (2) and [Ni(terpy)2](NO3)2·0.5H2O (3) [phen=1,10-phenanthroline, C 5 O 5 2 − =dianion of the 4,5-dihydroxycyclopent-4-ene-1,2,3-trione and terpy=2,2′:6′,2″-terpyridine] have been synthesized and characterized by single-crystal X-ray diffraction. The copper atom of 1 has a distorted square pyramidal environment with two phen-nitrogen and two croconate-oxygen atoms building the equatorial plane and a water molecule in the apical position. The nickel atom of 2 exhibits a distorted NiN3O3 octahedral coordination, which may be described either as tetragonally compressed or as skewed trapezoidal bipyr…

ChemistryOrganic Chemistrychemistry.chemical_elementCrystal structureSquare pyramidal molecular geometryAnalytical ChemistryInorganic ChemistryBipyramidCrystallographyTetragonal crystal systemNickelOctahedronAtomMoleculeSpectroscopyJournal of Molecular Structure
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Study of the interaction of [Cu(bipy)]2+ with oxalate and squarate in aqueous solution

1988

A study of the formation of complexes between [Cu(bipy)]2+ and ox2− and sq2− in aqueous solution, (bipy being 2,2′-bipyridine and ox2− and sq2− the dianions of ethanedioic acid and 3,4-dihydroxy-3-cyclobutene-1,2-dione, respectively), has been carried out with the aim of comparing the coordinating properties of these related ligands. The constants of the equilibria (i) and (ii) $$[Cu(bipy)]^{2 + } + ox^{2 - } \rightleftharpoons [Cu(bipy)ox]$$ (i) $$[Cu(bipy)]^{2 + } + sq^{2 - } \rightleftharpoons [Cu(bipy)sq]$$ (ii) have been determined by potentiometry and spectrophotometry at 25.0°C and 0.1 M NaNO3:logβ=5.78(2) and 2.16(2) for the oxalato- and squarato-complex, respectively. Such differen…

chemistry.chemical_classificationDiketoneAqueous solutionmedicine.diagnostic_testInorganic chemistryMetals and Alloyschemistry.chemical_elementCopperOxalateInorganic Chemistrychemistry.chemical_compoundCrystallographyDicarboxylic acidchemistrySpectrophotometryMaterials ChemistrymedicineChemical equilibriumOrganometallic chemistryTransition Metal Chemistry
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Study of the interaction between [Cu(bipy)]2+ and oxalate in dimethyl sulfoxide. Crystal structure of [Cu2(bipy)2(H2O)2ox]SO4·[Cu(bipy)ox]

1991

Abstract A study of complex formation between [Cu(bipy)]2+ and ox2− (bipy and ox2− being 2,2′-bipyridyl and the dianion of oxalic acid), has been carried out by potentiometry in dimethyl sulfoxide solution. The constants of the equilibria and are log β110 = 11.165(1) and log β210 = 13.185(5) at 25 °C and 0.1 mol dm−3 tetra-n- butylammonium perchlorate. The high values of these constants are consistent with the symmetrical bidentate and bis-bidentate modes of oxalate in [Cu(bipy)ox] and [Cu2(bipy)2ox]2+ units, respectively, as shown by X-ray diffraction studies. Well-formed single crystals of [Cu2(bipy)2(H2O)2ox]SO4· [Cu(bipy)ox] were grown from aqueous solutions and characterized by X-ray d…

Aqueous solutionDenticityChemistryInorganic chemistrychemistry.chemical_elementCrystal structureCopperOxalateInorganic ChemistryPerchloratechemistry.chemical_compoundCrystallographyMaterials ChemistryMoleculePhysical and Theoretical ChemistryMonoclinic crystal systemInorganica Chimica Acta
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Field-Induced Slow Magnetic Relaxation in a Six-Coordinate Mononuclear Cobalt(II) Complex with a Positive Anisotropy

2012

International audience; The novel mononuclear Co(II) complex cis-[Co-II(dmphen)(2)(NCS)(2)]center dot 0.25EtOH (1) (dmphen = 2,9-dimethyl-1,10-phenanthroline) features a highly rhombically distorted octahedral environment that is responsible for the strong positive axial and rhombic magnetic anisotropy of the high-spin Co-II ion (D = +98 cm(-1) and E = +8.4 cm(-1)). Slow magnetic relaxation effects were observed for 1 in the presence of a dc magnetic field, constituting the first example of field-induced single-molecule magnet behavior in a mononuclear six-coordinate Co(II) complex with a transverse anisotropy energy barrier.

[PHYS]Physics [physics]Anisotropy energy010405 organic chemistrychemistry.chemical_elementGeneral Chemistry010402 general chemistry01 natural sciencesBiochemistryCatalysis3. Good health0104 chemical sciencesMagnetic fieldIonCrystallographyMagnetic anisotropyColloid and Surface ChemistryNuclear magnetic resonancechemistryOctahedronMagnetAnisotropyCobalt
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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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Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes

2016

A novel series of dinuclear copper(II) pyrazolenophanes of the formula [Cu2(μ-4-Mepz)2(μ-ClO4)(ClO4)(bpm)2] (1), [Cu2(μ-pz)2(μ-H2O)(ClO4)(4,7-Me2phen)2]ClO4·H2O·CH3CN (2), [Cu2(μ-pz)2(μ-H2O)(ClO4)3/2(H2O)1/2(phen)2]2[Cu2(μ-pz)2(μ-ClO4)(ClO4)2(phen)2]·8H2O (3), and [Cu2(μ-pz)2(CH3CN)2(3,4,7,8-Me4phen)2](ClO4)2 (4) (Hpz = pyrazole, H-4-Mepz = 4-methylpyrazole, bpm = 2,2'-bipyrimidine, phen = 1,10-phenanthroline, 4,7-Me2phen = 4,7-dimethyl-1,10-phenanthroline, and 3,4,7,8-Me4phen = 3,4,7,8-tetramethyl-1,10-phenanthroline) have been synthesized and magneto-structurally investigated. The crystal structures of 1–4 contain bis(pyrazolate)(perchlorate)- (1 and 3), bis(pyrazolate)(aqua)- (2 and 3), …

Denticity010405 organic chemistryStereochemistryGeneral ChemistryCrystal structurePyrazole010402 general chemistryCondensed Matter Physics01 natural sciencesMagnetic susceptibility0104 chemical scienceschemistry.chemical_compoundBinding abilityPerchlorateCrystallographychemistryMoleculeGeneral Materials ScienceSelf-assemblyCrystEngComm
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Slow relaxation of the magnetization in Oximato-bridged heterobimetallic Copper(II)-Manganese(III) chains

2011

The use of the oximato-containing copper(II) complexes, [Cu(Hdeg)2] (H2deg = diethylglyoxime), [Cu(Hmeg)2] (H2meg = methylethylglyoxime) and [Cu(Hdmg)2] (H2dmg = dimethylglyoxime), as ligands toward manganese(II) acetate in methanol afforded the heterobimetallic compounds of formula [MnCu(deg)2(CH3COO)(H2O)2] (1), [MnCu(meg)2(CH3COO)(H2O)2] (2) and [MnCu(dmg)2(CH3COO)(H2O)2] (3) where the starting manganese(II) ion was oxidized to manganese(III) by air. In the lack of single crystals suitable for X-ray diffraction analysis, X-ray absorption techniques (EXAFS and XANES) at 40 K were used for the structural characterization of 1-3. The analysis of the X-ray absorption data reveals that 1-3 ar…

Extended X-ray absorption fine structureInorganic chemistrychemistry.chemical_elementGeneral ChemistryManganeseCopperXANESCrystallographyMagnetizationchemistry.chemical_compoundDimethylglyoximechemistryFerromagnetismAntiferromagnetismJournal of the Brazilian Chemical Society
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Syntheses, crystal structures and magnetic properties of di- and trinuclear croconato-bridged copper(ii) complexes

2002

The new croconato-bridged copper(II) compounds [Cu2(terpy)2(H2O)2(C5O5)](NO3)2·H2O (1) and [Cu3(phen)5(C5O5)2](CF3SO3)2 (2) (C5O52− = croconate, dianion of 4,5-dihydroxycyclopent-4-ene-1,2,3-trione; terpy = 2,2′:6′,2″-terpyridine; phen = 1,10-phenanthroline) have been prepared, and their crystal structures and variable temperature magnetic susceptibilities determined. The structure of complex 1 consists of croconato-bridged dinuclear [Cu2(terpy)2(H2O)2(C5O5)]2+ complex ions, nitrate counter ions and water of hydration. The croconato ligand exhibits an asymmetrical bis-bidentate coordination mode through four of its five oxygen atoms. The two crystallographically independent copper atoms hav…

CrystallographyOctahedronchemistryLigandIntramolecular forceMoleculechemistry.chemical_elementGeneral ChemistryCrystal structurePhotochemistryCopperSquare pyramidal molecular geometryCoordination geometryJournal of the Chemical Society, Dalton Transactions
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Dicopper(II) pyrazolenophanes: Ligand effects on their structures and magnetic properties

2016

Abstract The use of simple pyrazolate anions and related polychelating acyclic or macrocyclic pyrazolate derivatives as bridging ligands, and occasionally additional blocking ligands, has led to the stereospecific Cu II -mediated self-assembly of both homo- and heteroleptic di-μ-pyrazolatodicopper(II) complexes of the metallacyclophane type, so-called dicopper(II) pyrazolenophanes. Besides their unique molecular conformation features and binding abilities toward both neutral molecules and charged anionic species, which have illustrated the putative role of weak intramolecular π–π stacking, hydrogen bonding, and coordinative interactions in the self-assembling process, dicopper(II) pyrazolen…

010405 organic chemistryHydrogen bondStereochemistryChemistryLigandStacking010402 general chemistry01 natural sciencesInductive couplingPlanarity testing0104 chemical sciencesInorganic ChemistryMetalvisual_artIntramolecular forceMaterials Chemistryvisual_art.visual_art_mediumMoleculePhysical and Theoretical ChemistryCoordination Chemistry Reviews
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Syntheses, crystal structures and magnetic properties of chromato-, sulfato-, and oxalato-bridged dinuclear copper(II) complexes

2000

Abstract Four dinuclear copper(II) complexes of formula [Cu2(bpca)2(H2O)3(CrO4)]·H2O (1), [Cu2(bpca)2(H2O)3(SO4)]·H2O (2), [Cu2(bpca)2(H2O)2(C2O4)]·2H2O (3), and [Cu2(bpca)2(C2O4)] (4) [bpca=bis(2-pyridylcarbonyl)amide anion] have been synthesized and their magnetic behavior has been investigated as a function of temperature. The structures of 1–3 have been determined by single-crystal X-ray diffraction, whereas the structure of 4 was already known. The structures of this family of complexes are made up of neutral chromateO1,O1′ (1), sulfateO1,O1′ (2) and oxalateO1,O2:O1′,O2′-bridged (3 and 4) dinuclear copper(II) units. The two copper atoms within the dinuclear unit of the isomorphous c…

chemistry.chemical_elementCrystal structureCopperSquare pyramidal molecular geometryInorganic ChemistryCrystallographychemistry.chemical_compoundchemistryOctahedronAmideIntramolecular forceAtomMaterials ChemistryMoleculePhysical and Theoretical ChemistryInorganica Chimica Acta
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CCDC 1914220: Experimental Crystal Structure Determination

2019

Related Article: Julia Vallejo, Marta Viciano-Chumillas, Francisco Lloret, Miguel Julve, Isabel Castro, J. Krzystek, Mykhaylo Ozerov, Donatella Armentano, Giovanni De Munno, Joan Cano|2019|Inorg.Chem.|58|15726|doi:10.1021/acs.inorgchem.9b01719

benzoato-bis(66'-dimethyl-22'-bipyridine)-cobalt(ii) perchlorateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1972102: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(tetraphenylphosphanium) octachloro-(mu-oxo)-bis(pyridine)-di-ruthenium(iv)Experimental 3D Coordinates
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CCDC 878930: Experimental Crystal Structure Determination

2018

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametershexakis(35-dimethyl-1H-pyrazole)-[mu-ethanedioato]-di-copper(ii) bis(perchlorate) dihydrateExperimental 3D Coordinates
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CCDC 1415919: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tetrakis(mu2-44'-(14-Phenylenediethyne-21-diyl)dipyridine)-tetrakis(isothiocyanato)-di-cobalt(ii) toluene solvate]Experimental 3D Coordinates
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CCDC 987581: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal Systemcatena-[(mu~2~-22'-bipyrimidine)-(mu~2~-35-dimethylpyrazolato-N:N')-(mu~2~-hydroxo)-bis(35-dimethyl-1H-pyrazole)-di-copper diperchlorate]Crystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1047962: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographybis(mu2-4-Methylpyrazolato-NN')-(mu2-perchlorato-OO)-(22'-bipyrimidine-NN')-(perchlorato-O)-di-copperCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1415917: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[bis(mu2-44'-(14-phenylenediethyne-21-diyl)dipyridine)-bis(isothiocyanato)-cobalt(ii) thianthrene methanol solvate]Experimental 3D Coordinates
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CCDC 1972100: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(tetraphenylphosphanium) (mu-oxo)-bis(acetonitrile)-octachloro-di-ruthenium(iv)Experimental 3D Coordinates
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CCDC 1991872: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-(hexakis(mu-glycine)-tetra-aqua-di-dysprosium hexaperchlorate pentahydrate)Experimental 3D Coordinates
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CCDC 987580: Experimental Crystal Structure Determination

2014

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catena-[(mu~2~-aqua)-(mu~2~-22'-bipyrimidine)-(mu~2~-3-methylpyrazolato-N:N')-(mu~2~-3-methylpyrazolato-N':N)-di-copper diperchlorate dihydrate]Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1047964: Experimental Crystal Structure Determination

2015

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(mu2-Aqua)-(mu2-pyrazolato-NN')-bis(47-dimethyl-110-phenanthroline-NN')-di-copper(ii) diperchlorate acetonitrile solvate monohydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2046049: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatesbis(mu-chloro)-bis(mu-17-dihydro-6H-purin-6-one)-tetrachloro-di-ruthenium
researchProduct

CCDC 911104: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographybis(mu2-bromo)-bis(NN-bis((pyridin-2-yl)methyl)prop-2-yn-1-amine)-dibromo-di-manganeseCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1415920: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tetrakis(mu2-44'-(14-Phenylenediethyne-21-diyl)dipyridine)-tetrakis(isothiocyanato)-di-cobalt(ii) toluene solvate]Experimental 3D Coordinates
researchProduct

CCDC 1047963: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis((mu2-Aqua)-bis(pyrazolato-NN')-bis(110-phenanthroline)-di-copper(ii)) (mu2-perchlorato)-bis(mu2-pyrazolato)-(perchlorato-O)-bis(110-phenanthroline)-di-copper triperchlorate hexahydrateExperimental 3D Coordinates
researchProduct

CCDC 911105: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographybis(mu2-azido)-diazido-bis(N-((1-methylimidazol-2-yl)methyl)-N-((pyridin-2-yl)methyl)prop-2-yn-1-amine)-di-manganese(ii)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1898602: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(mu-oxo)-hexachloro-bis(22'-bipyrimidine)-di-ruthenium(iv) hexahydrateExperimental 3D Coordinates
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CCDC 953476: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographyCrystal SystemTetraphenylphosphonium (22'-((45-dichloro-12-phenylene)bis(imino))bis(oxoacetato))-bis(pyridine)-manganese(iii)Crystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1040032: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographybis(mu2-2-Methoxybenzato-OO')-(mu2-oxo)-aqua-bis(22'-bipyridine)-(nitrato-O)-di-manganese nitrate acetonitrile solvate monohydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1898601: Experimental Crystal Structure Determination

2020

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bis(tetraphenylphosphanium) (mu-oxo)-octachloro-diaqua-di-ruthenium tetrahydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 987579: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal Systemcatena-[(mu~2~-aqua)-(mu~2~-22'-bipyrimidine)-bis(mu~2~-pyrazolato)-aqua-(perchlorato)-di-copper perchlorate dihydrate]Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1415918: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[bis(mu2-44'-(14-Phenylenediethyne-21-diyl)dipyridine)-bis(isothiocyanato)-cobalt(ii) thianthrene methanol solvate]Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 911106: Experimental Crystal Structure Determination

2014

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bis(mu2-azido)-bis(azido)-bis(NN-bis((pyridin-2-yl)methyl)prop-2-yn-1-amine)-di-manganese(ii) methanol solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1415921: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[bis(mu2-44'-(14-Phenylenediethyne-21-diyl)dipyridine)-bis(isothiocyanato)-cobalt(ii) pyrrole solvate]Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 905065: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographybis(mu2-chloro)-bis(NN-bis((pyridin-2-yl)methyl)prop-2-yn-1-amine)-dichloro-di-manganese(ii)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1415915: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[tetrakis(mu2-44'-(14-phenylenediethyne-21-diyl)dipyridine)-tetrakis(isothiocyanato)-di-cobalt 12-dichlorobenzene solvate]Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2076621: Experimental Crystal Structure Determination

2021

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CCDC 1047965: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(mu2-Pyrazolato-NN')-bis(acetonitrile)-bis(3478-tetramethyl-110-phenanthroline-NN')-di-copper(ii) diperchlorateExperimental 3D Coordinates
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CCDC 1914219: Experimental Crystal Structure Determination

2019

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researchProduct

CCDC 1991873: Experimental Crystal Structure Determination

2020

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researchProduct

CCDC 1415916: Experimental Crystal Structure Determination

2016

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catena-(tetrakis(mu2-4-((4-(Pyridin-4-ylethynyl)phenyl)ethynyl)pyridine)-tetrakis(isothiocyanato)-di-cobalt 12-dichlorobenzene solvate)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1040033: Experimental Crystal Structure Determination

2015

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bis(mu2-2-Methoxybenzoato-OO')-(mu2-oxo)-aqua-bis(22'-bipyridine)-(perchlorato-O)-di-manganese(iii) perchlorate acetonitrile solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2046050: Experimental Crystal Structure Determination

2021

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researchProduct

CCDC 2047766: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[tris(mu-oxalato)-hexa-aqua-di-gadolinium(iii) tetrahydrate]Experimental 3D Coordinates
researchProduct

CCDC 1577623: Experimental Crystal Structure Determination

2018

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[mu-ethanedioato]-hexakis(345-trimethyl-1H-pyrazole)-di-copper(ii) diperchlorate dihydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1972101: Experimental Crystal Structure Determination

2020

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bis(tetraphenylphosphanium) (mu-oxo)-bis(NN-dimethylformamide)-octachloro-di-ruthenium(iv)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1898600: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(44'-bipyridin-1-ium) (mu-oxo)-decachloro-di-ruthenium(ii)Experimental 3D Coordinates
researchProduct

CCDC 2076622: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[[mu-oxalato]-hexakis(4-methyl-1H-pyrazole)-bis(perchlorato)-di-copper(ii)]Cell ParametersExperimental 3D Coordinates
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Bioinorganic Chemistry (Topic 2)

2018

Este documento ha sido elbaorado en el marco de un proyecto de Renovación de Metodologías Docentes concedido por el Servicio de Formación Permanente de la Universitat de València (código de la solicitud: UV-SFPIE_RMD17-725369). Este documento forma parte de la asignatura Química Inorgánica Avanzada impartida en el Máster Universitario en Química. This document forms part of the course of Advanced Inorganic Chemistry belonging to the Master in Chemistry.

UNESCO::QUÍMICA::Química inorgánicabioinorganic chemistry catalytic processes genetic transcription
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