Search results for "iron complex"

showing 10 items of 27 documents

57Fe Mössbauer spectroscopy predicts superstructure for K0.08[Cu(II)(N,N'app)Cl]2[Fe(III)(CN)6].0.92H3O.3H2O.

2007

The compound [Cu(N,N'app)Cl](2)[Fe(CN)(6)].xH(2)O, with N,N'app being bis(N,N'-3-aminopropylpiperazine), was prepared and its structure determined by single crystal X-ray analysis, confirming a ratio of two copper complexes to one iron complex; (57)Fe Mössbauer spectra showed three quadrupole doublets typical of iron(iii) low spin species which call for the presence of a superstructure.

Metals and Alloyschemistry.chemical_elementGeneral ChemistryCopperCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCrystallographyNuclear magnetic resonancechemistryQuadrupoleMössbauer spectroscopyMaterials ChemistryCeramics and CompositesIron complexMossbauer spectraSingle crystalSuperstructure (condensed matter)Chemical communications (Cambridge, England)
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Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii) complexes

2021

Two closely related FeII complexes with 2,6-bis(1-ethyl-1H-1,2,3-triazol-4yl)pyridine and 2,6-bis(1,2,3-triazol-5-ylidene)pyridine ligands are presented to gain new insights into the photophysics of bis(tridentate) iron(II) complexes. The [Fe(N^N^N)2]2+ pseudoisomer sensitizes singlet oxygen through a MC state with nanosecond lifetime after MLCT excitation, while the bis(tridentate) [Fe(C^N^C)2]2+ pseudoisomer possesses a similar 3MLCT lifetime as the tris(bidentate) [Fe(C^C)2(N^N)]2+ complexes with four mesoionic carbenes. Financial support from the Deutsche Forschungsge-meinschaft [DFG, Priority Program SPP 2102] "Light-controlled reactivity of metal complexes" (BA 4467/7-1, LO 714/11-1, …

TrisDenticitysynthesisPyridinepyridine derivativecarbenoidIron compoundsCatalysisexperimental studychemistry.chemical_compoundPyridineMaterials Chemistryphysical chemistrycontrolled studyChemistrySinglet oxygenPyridine ligandsSinglet oxygenMetals and AlloysMesoionicGeneral ChemistryNanosecondPyridine ligandSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialsunclassified drugCrystallographyPhotophysicsiron complexisomerCeramics and CompositesCarbeneschemical structurephotodynamicsphysicsExcitationchemical parameters
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Remarkable Steric Effects and Influence of Monodentate Axial Ligands L on the Spin-Crossover Properties of trans-[FeII(N4 ligand)L] Complexes

2007

Iron(II) complexes obtained from tetradentate, rigid, linear N4 ligands have been investigated to appraise the influence of steric effects and the impact of trans-coordinated anions on the spin-transition behavior. As expected, the well-designed ligands embrace the metal center, resulting in octahedral iron(II) complexes where the basal plane is fully occupied by the pyridine/pyrazole N4 ligand, while anions or solvent molecules are exclusively axially coordinated. Precursor complexes, namely, [Fe(bpzbpy)(MeOH)2](BF4)2 (where bpzbpy symbolizes the ligand 6,6'-bis(N-pyrazolylmethyl)-2,2'-bipyridine) and [Fe(mbpzbpy)(MeOH)2](BF4)2 (where mbpzbpy symbolizes the ligand 6,6'-bis(3,5-dimethyl-N-p…

Steric effectsDenticityTetradentate ligandThiocyanateMössbauer spectroscopy010405 organic chemistryLigandStereochemistry[CHIM.MATE]Chemical Sciences/Material chemistryIron complexesPyrazoleSpin crossover010402 general chemistry01 natural sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographychemistrySpin crossoverPyridinePhysical and Theoretical ChemistryDicyanamideInorganic Chemistry
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Iron’s Wake: The Performance of Quantum Mechanical-Derived Versus General-Purpose Force Fields Tested on a Luminescent Iron Complex

2020

Recently synthetized iron complexes have achieved long-lived excited states and stabilities which are comparable, or even superior, to their ruthenium analogues, thus representing an eco-friendly and cheaper alternative to those materials based on rare metals. Most of computational tools which could help unravel the origin of this large efficiency rely on ab-initio methods which are not able, however, to capture the nanosecond time scale underlying these photophysical processes and the influence of their realistic environment. Therefore, it exists an urgent need of developing new low-cost, but still accurate enough, computational methodologies capable to deal with the steady-state and trans…

Work (thermodynamics)AcetonitrilesLuminescenceIronPharmaceutical ScienceMolecular Dynamics Simulation010402 general chemistry01 natural sciencesArticleAnalytical Chemistrylcsh:QD241-441Molecular dynamicschemical environmentlcsh:Organic chemistry0103 physical sciencesDrug Discoverytime-dependent density functional theory.Statistical physicsPhysical and Theoretical ChemistryQuantumComputingMilieux_MISCELLANEOUSPhysics010304 chemical physicsSpectrum AnalysisScale (chemistry)Organic ChemistryTime-dependent density functional theoryNanosecond0104 chemical sciences[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistrytime-dependent density functional theoryiron complexChemistry (miscellaneous)Excited stateSolventsQuantum TheoryMolecular MedicineLuminescenceIron Compoundsforce field molecular dynamicsMolecules
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Spin Cross-Over (SCO) Complex Based on Unsymmetrical Functionalized Triazacyclononane Ligand: Structural Characterization and Magnetic Properties

2019

International audience; The unsymmetrical ligand 1-(2-aminophenyl)-4,7-bis(pyridin-2-ylmethyl)-1,4,7-triazacyclononane (L6) has been prepared and characterized by NMR spectroscopy. The L6 ligand is based on the triazamacrocycle (tacn) ring that is functionalized by two flexible 2-pyridylmethyl and one rigid 2-aminophenyl groups. Reaction of this ligand with Fe(ClO4)2·xH2O led to the complex [Fe(L6)](ClO4)2 (1), which was characterized as the first Fe(II) complex based on the unsymmetrical N-functionalized tacn ligand. The crystal structure revealed a discrete monomeric [FeL6]2+ entity in which the unsymmetrical N-functionalized triazacyclononane molecule (L6) acts as hexadentate ligand. As …

Crystal structure010402 general chemistryRing (chemistry)01 natural scienceslcsh:Chemistrychemistry.chemical_compoundSpin crossoverPyridineMagnetic propertiesMacrocycle ligands; Iron complex; High spin and Low spin; Spin Cross-Over; Magnetic propertiesMaterials ChemistryMolecule[CHIM.COOR]Chemical Sciences/Coordination chemistryIron complex010405 organic chemistryLigand[CHIM.MATE]Chemical Sciences/Material chemistryNuclear magnetic resonance spectroscopy0104 chemical sciencesElectronic Optical and Magnetic MaterialsCrystallographyMonomerchemistrylcsh:QD1-999Chemistry (miscellaneous)Macrocycle ligandsHigh spin and Low spinSpin Cross-OverMagnetochemistry
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Physiological Levels of Nitric Oxide Diminish Mitochondrial Superoxide. Potential Role of Mitochondrial Dinitrosyl Iron Complexes and Nitrosothiols.

2017

Mitochondria are the major source of superoxide radicals and superoxide overproduction contributes to cardiovascular diseases and metabolic disorders. Endothelial dysfunction and diminished nitric oxide levels are early steps in the development of these pathological conditions. It is known that physiological production of nitric oxide reduces oxidative stress and inflammation, however, the precise mechanism of “antioxidant” effect of nitric oxide is not clear. In this work we tested the hypothesis that physiological levels of nitric oxide diminish mitochondrial superoxide production without inhibition of mitochondrial respiration. In order to test this hypothesis we analyzed effect of low p…

0301 basic medicineAntioxidantPhysiologymedicine.medical_treatmentdinitrosyl iron complexesMitochondrionmedicine.disease_causelcsh:PhysiologyNitric oxide03 medical and health scienceschemistry.chemical_compoundnitric oxidePhysiology (medical)medicineHydrogen peroxideOriginal Researchchemistry.chemical_classificationReactive oxygen specieslcsh:QP1-981SuperoxideNitrosylationelectron spin resonancenitrosothiolsmitochondria030104 developmental biologychemistryBiophysicssuperoxideOxidative stressFrontiers in physiology
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Nonheme Fe(IV) Oxo Complexes of Two New Pentadentate Ligands and Their Hydrogen-Atom and Oxygen-Atom Transfer Reactions.

2015

Two new pentadentate {N5} donor ligands based on the N4Py (N4Py = N,N-bis(2-pyridylmethyl)-N-bis(2-pyridyl)methylamine) framework have been synthesized, viz. [N-(1-methyl-2-benzimidazolyl)methyl-N-(2-pyridyl)methyl-N-(bis-2-pyridyl methyl)amine] (L1) and [N-bis(1-methyl-2-benzimidazolyl)methyl-N-(bis-2-pyridylmethyl)amine] (L2), where one or two pyridyl arms of N4Py have been replaced by corresponding (N-methyl)benzimidazolyl-containing arms. The complexes [FeII(CH3CN)(L)]2+ (L = L1 (1); L2 (2)) were synthesized, and reaction of these ferrous complexes with iodosylbenzene led to the formation of the ferryl complexes [FeIV(O)(L)]2+ (L = L1 (3); L2 (4)), which were characterized by UV–vis spe…

Ligand field theoryModels MolecularStereochemistryPyridinesIronMolecular ConformationSulfidesIron compoundsLigandsMedicinal chemistryRedoxReaccions químiquesInorganic Chemistrychemistry.chemical_compoundChemical reactionsMössbauer spectroscopyElectrochemistryOrganometallic Compoundspentadentate ligandsPhysical and Theoretical ChemistrySpectroscopyta116LigandChemistryMethylamineFerro -- CompostosHydrogen atomOxygeniron complexesAmine gas treatingOxidation-ReductionHydrogenInorganic chemistry
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Bioequivalence decision for nanoparticular iron complex drugs for parenteral administration based on their disposition

2017

Although parenteral iron products have been established to medicinal use decades before, their structure and pharmacokinetic properties are not fully characterized yet. With its' second reflection paper on intravenous iron-based nano-colloidal products (EMA/CHMP/SWP/620008/2012) the European Medicine Agency provided an extensive catalogue of methods for quality, non-clinical and pharmacokinetic studies for the comparison of nano-sized iron products to an originator (EMA, 2015). For iron distribution studies, the reflection paper assumed the use of rodents. In our tests, we used a turkey fetus model to investigate time dependent tissue concentrations in pharmacological and toxicological rele…

0301 basic medicineEmbryo NonmammalianTissue concentrationsTurkeyAmylopectinDose dependenceBioequivalencePharmacologyKidneyToxicologyFerric CompoundsGlucaric Acid03 medical and health sciences0302 clinical medicinePharmacokineticsAnimalsDistribution (pharmacology)MedicineIron complexMaltoseFerric Oxide Saccharatedbusiness.industryMyocardiumGeneral MedicineDisposition030104 developmental biologyLiverTherapeutic Equivalency030220 oncology & carcinogenesisModels AnimalNanoparticlesIron-Dextran ComplexbusinessParenteral ironRegulatory Toxicology and Pharmacology
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Bridgehead isomer effects in bis(phosphido)-bridged diiron hexacarbonyl proton reduction electrocatalysts

2017

The influence of the substitution, orientation and structure of the phosphido bridges in [Fe2(CO)6(μ-PR2)2] electrocatalysts of proton reduction has been studied. The isomers e,a-[Fe2(CO)6{μ-P(Ar)H}2] (1a(Ar): Ar = Ph, 2′-methoxy-1,1′-binaphthyl (bn′)), e,e-[Fe2(CO)6{μ-P(Ar)H}2] (1b(Ar): Ar = Ph, bn′) were isolated from reactions of iron pentacarbonyl and the corresponding primary phosphine, syntheses that also afforded the phosphinidene-capped tri-iron clusters, [Fe3(CO)9(μ-CO)(μ3-Pbn′)] (2) and [Fe3(CO)9(μ3-PAr)2] (3(Ar), Ar = Ph, bn′). A ferrocenyl (Fc)-substituted dimer [Fe2(CO)6{μ:μ′-1,2-(P(CH2Fc)CH2)2C6H4}] (4), in which the two phosphido bridges are linked by an o-xylyl group, was al…

chemistry.chemical_classificationHydrogen010405 organic chemistryDimerbridging ligandsphosphido ligandschemistry.chemical_elementSulfonic acid010402 general chemistryPhotochemistryElectrochemistryproton reduction01 natural sciences0104 chemical sciencesIron pentacarbonylCatalysisInorganic Chemistrychemistry.chemical_compoundCrystallographyiron complexeschemistryelectrocatalysista116PhosphineTetrahydrofuranDalton Transactions
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Interplay between spin-crossover and luminescence in a multifunctional single crystal iron( ii ) complex: towards a new generation of molecular senso…

2019

Multifunctional mononuclear iron( ) complex coordinated with six phosphorescent ligands exhibiting correlated spin-crossover transition and enhanced fluorescence.

Coordination spherePhotoluminescenceMaterials scienceSpin statesMolecular SensorsPhotoluminescentSpin transition[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistry01 natural sciencesSpin crossover[CHIM]Chemical SciencesIron complex010405 organic chemistrydigestive oral and skin physiologyGeneral Chemistry[CHIM.MATE]Chemical Sciences/Material chemistry0104 chemical sciencesChemistrySynergyChemical physicsHigh spin and Low spinSpin Cross-OverLight emissionLuminescenceSingle crystal
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