Search results for "Complexes."

showing 10 items of 857 documents

Ferromagnetic exchange in a twisted, oxime-bridged [mniii2] dimer

2012

Journal article The dimeric complex [MnIII2(Naphth-sao)2(Naphth-saoH)2(MeOH)2][middle dot]4MeOH (1[middle dot]4MeOH), acts as a simple model complex with which to examine the magneto-structural relationship in polymetallic, oxime-bridged MnIII complexes. Dc magnetic susceptibility studies reveal that ferromagnetic exchange is mediated through the heavily twisted Mn-O-N-Mn moiety (J = +1.24 cm-1) with magnetisation measurements at low temperatures and high fields suggesting significant anisotropy. Simulations of high field, high frequency EPR data reveal a single ion anisotropy, D(MnIII) = -3.94 cm-1. Theoretical studies on simplified model complexes of 1 reveal that calculated values of the…

complexes/dk/atira/pure/subjectarea/asjc/1600/1604familyni(ii)ligandsDimerMagnetic susceptibilityIonlaw.inventionInorganic Chemistryatoms lichemistry.chemical_compoundCrystallographyMagnetizationaxis extra linesSingle-Molecule Magnetselectron-paramagnetic-resonancechemistryFerromagnetismlawkrgaussian-basis setsMoietyAnisotropyElectron paramagnetic resonance
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Iron (II) isothiocyanate complexes with substituted pyrazines: Experimental and theoretical views on their electronic structure

2015

Abstract Synthesis, structural, magnetic, Mossbauer and thermal studies of isothiocyanate iron (II) complexes with substituted pyrazines (iodo-, bromo- and amino-derivatives) are discussed here. Complexes with iodo- and bromo-derivatives were found to have the composition [Fe(Ipz)2(SCN)2(H2O)2]·2Ipz (1) and [Fe(Brpz)2(SCN)2(H2O)2]·2Brpz (2), whereas in the case of amino-functionalized pyrazine the formation of [Fe(NH2pz)4(SCN)2] (3) was observed. 3D organization of the molecular complexes is stabilized within different hydrogen, halogen and lone pair–π interactions. Spin state of iron (II) ions in 1–3 was determined as high spin by Mossbauer and magnetic measurements. DFT calculations for t…

complexesSpin statesPyrazineHydrogenspin stateMössbauer spectroscopyInorganic chemistrychemistry.chemical_elementElectronic structure3. Good healthInorganic Chemistrychemistry.chemical_compoundCrystallographyironchemistryIsothiocyanateMössbauer spectroscopyHalogenMaterials ChemistrypyrazinePhysical and Theoretical Chemistryta116Lone pairPolyhedron
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Polyamines : études et applications

2008

International audience

complexescoordinationvectorisationextraction/purificationcatalysis[CHIM.ORGA]Chemical Sciences/Organic chemistry[CHIM.ORGA] Chemical Sciences/Organic chemistrycyclic polyamines[ CHIM.ORGA ] Chemical Sciences/Organic chemistryhybrid materialsluminescenceComputingMilieux_MISCELLANEOUSlinear polyaminesMRI
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Incorporation of Pt(II) complex with [amino-2(methylthio)(1,2,4)triazole-(1,5-a)pyrimidine-6-carboxylic-acid] ligand in MCM41 for controlled release

2015

Drug carriers play a critical role for the loading and the release of the drug. A promising frontier is represented by a new class of innovative medicines that represents directional transport vehicles "drug delivery" and consist of assembled structures carrier (nano)-drug. Silica-based materials, nontoxic, biocompatible, have been used as adjuvant and excipient in pharmaceutical technology. In this class of compounds, the mesoporous materials, such as MCM41, SBA-15 and hexagonal mesoporous silica, have been investigated for medication and drug delivery due to their properties. In fact, these materials show a large specific pore volume made up of regular pores having a diameter in the nanom…

controlled release MCM41 platinum(II) complexes 29Si {1H} CP-MAS NMR.
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On the mechanistic behavior of highly efficient palladium-tetraphosphine catalytic systems for cross-coupling reactions: first spectroscopic and elec…

2008

Electrochemical studies carried out in conjunction with 31P NMR spectroscopy on the palladium(II)/palladium(0) halogeno complexes of the tetraphosphine 1,1′,2,2′-tetrakis(diphenylphosphino)-4,4′-di...

crystal structureDenticityredox reactionoxidative additiontetraphosphinechemistry.chemical_elementmechanism010402 general chemistryElectrochemistryPhotochemistry01 natural sciencesCoupling reactionCatalysisInorganic Chemistry[ CHIM.CATA ] Chemical Sciences/Catalysiscross-coupling reactionsferrocenylpolyphosphine complexesPhysical and Theoretical ChemistryComputingMilieux_MISCELLANEOUSelectrochemical studies010405 organic chemistryChemistryOrganic Chemistry[CHIM.CATA]Chemical Sciences/CatalysispalladiumCombinatorial chemistryOxidative addition0104 chemical sciences3. Good healthcatalytic systemsreaction kinetics31p nmr spectroscopyPalladium
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Crystal structures of organoplatinum complexes containing alkyleugenoxyacetate and p-chloroaniline

2016

In the title trans-di­chlorido­platinum(II) complexes, the central PtII atom is further coordinated by the p-chloro­aniline N atom and ethyl­enic double bond of alkyl­eugenoxyacetate.

crystal structureDouble bondStereochemistryCrystal structure010403 inorganic & nuclear chemistryRing (chemistry)01 natural sciencesResearch Communicationstrans-dichloridoplatinum(II) complexeslcsh:Chemistry03 medical and health scienceschemistry.chemical_compound0302 clinical medicinep-chloroanilineGeneral Materials ScienceBenzenetrans-di­chlorido­platinum(II) complexesOrganoplatinumCoordination geometrychemistry.chemical_classificationHydrogen bondLigandp-chloro­anilineGeneral ChemistryCondensed Matter Physicshydrogen bonding0104 chemical sciencesCrystallographychemistrylcsh:QD1-999030220 oncology & carcinogenesisActa Crystallographica Section E: Crystallographic Communications
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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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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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Stabilisation of Exotic Tribromide (Br3−) Anions via Supramolecular Interaction with A Tosylated Macrocyclic Pyridinophane. A Serendipitous Case.

2020

Tetraaza-macrocyclic pyridinophane L-Ts, decorated with a p-toluenesulfonyl (tosyl

crystal structureStackingSupramolecular chemistryPharmaceutical ScienceCrystal structureAnalytical Chemistrylcsh:QD241-441symbols.namesakechemistry.chemical_compoundlcsh:Organic chemistryTosylDrug DiscoveryPyridineHirshfeld surface analysisPhysical and Theoretical ChemistryN-heterocyclesanion- interactionsTribromideHydrogen bondOrganic Chemistryanion complexesCrystallographychemistryChemistry (miscellaneous)symbolsMolecular Medicinevan der Waals forceMolecules
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Three phenanthroline-metal complexes with topologically similar but geometrically different conformations.

2016

Two out of the three very similar complexes described present twofold symmetry but not the third one, probably by way of a strong intra­molecular C—H⋯O hydrogen bond disrupting the symmetry, a fact which is analysed in detail.

crystal structureStereochemistryPhenanthrolinechemistry.chemical_elementZincCrystal structureQuímica Inorgánica y Nuclear010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesstrong C—H⋯O intra­molecular hydrogen bondsCRYSTAL STRUCTUREResearch Communicationslcsh:ChemistryMetalBase (group theory)//purl.org/becyt/ford/1 [https]chemistry.chemical_compoundGroup (periodic table)strong C—H...O intramolecular hydrogen bondsCd and Zn complexesPEROXODISULFATE ANION//purl.org/becyt/ford/1.4 [https]General Materials ScienceSTRONG C - H⋯O INTRAMOLECULAR HYDROGEN BONDSCadmiumHydrogen bondCiencias QuímicasGeneral ChemistryCondensed Matter Physicsperoxodisulfate anion0104 chemical sciencesCrystallographylcsh:QD1-999chemistryvisual_artvisual_art.visual_art_mediumperoxodi­sulfate anionCD AND ZN COMPLEXESCIENCIAS NATURALES Y EXACTASActa crystallographica. Section E, Crystallographic communications
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