Search results for "x-ray-structure"

showing 7 items of 7 documents

Synthesis, characterization, crystal structures and in vitro antistaphylococcal activity of organotin(IV) derivatives with 5,7-disubstituted-1,2,4-tr…

2011

Abstract New organotin(IV) complexes of 5,7-ditertbutyl-1,2,4-triazolo[1,5-a]pyrimidine ( dbtp ) and 5,7-diphenyl-1,2,4-triazolo[1,5-a]pyrimidine ( dptp ) with 1:1 and/or 1:2 stoichiometry were synthesized and investigated by X-ray diffraction, FT-IR and 119 Sn Mossbauer in the solid state and by 1 H and 13 C NMR spectroscopy, in solution. Moreover, the crystal and molecular structures of Et 2 SnCl 2 (dbtp) 2 and Ph 2 SnCl 2 (EtOH) 2 (dptp) 2 are reported. The complexes contain hexacoordinated tin atoms: in Et 2 SnCl 2 (dbtp) 2 two 5,7-ditertbutyl-1,2,4-triazolo[1,5-a]pyrimidine molecules coordinate classically the tin atom through N(3) atom and the coordination around the tin atom shows a …

Methicillin-Resistant Staphylococcus aureusTRIAZOLOPYRIMIDINE ORGANOTIN(IV)Staphylococcus aureusMagnetic Resonance SpectroscopyPyrimidineStereochemistrychemistry.chemical_elementOrganotin(IV)Crystal structureBiochemistryMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundSpectroscopy MossbauerX-Ray DiffractionMössbauer spectroscopySpectroscopy Fourier Transform InfraredEscherichia coliOrganotin CompoundsMoleculeANTIMICROBIAL ACTIVITYTriazolopyrimidine; Organotin(IV); X-ray-structure; 119Sn Mössbauer; Antimicrobial activityCarbon-13 NMRTriazolesAnti-Bacterial AgentsTrigonal bipyramidal molecular geometryPyrimidineschemistryOctahedronSettore CHIM/03 - Chimica Generale E InorganicaPseudomonas aeruginosaTriazolopyrimidine119SN MÖSSBAUERTinX-RAY-STRUCTUREJournal of inorganic biochemistry
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Potential anticancer heterometallic Fe-Au and Fe-Pd agents: Initial mechanistic insights

2013

A series of gold(III) and palladium(II) heterometallic complexes with new iminophosphorane ligands derived from ferrocenylphosphanes [{Cp-P(Ph2)═N-Ph}2Fe] (1), [{Cp-P(Ph2)═N-CH2-2-NC5H4}2Fe] (2), and [{Cp-P(Ph2)═N-CH2-2-NC5H4}Fe(Cp)] (3) have been synthesized and structurally characterized. Ligands 2 and 3 afford stable coordination complexes [AuCl2(3)]ClO4, [{AuCl2}2(2)](ClO4)2, [PdCl2(3)], and [{PdCl2}2(2)]. The complexes have been evaluated for their antiproliferative properties in human ovarian cancer cells sensitive and resistant to cisplatin (A2780S/R), in human breast cancer cells (MCF7) and in a nontumorigenic human embryonic kidney cell line (HEK-293T). The highly cytotoxic trimeta…

STRUCTURAL-CHARACTERIZATIONARENE-RUTHENIUM COMPLEXESStereochemistryANTITUMOR-ACTIVITYchemistry.chemical_elementGOLD COMPOUNDSAntineoplastic AgentsCYTOTOXIC ACTIVITYArticleCoordination ComplexesCell Line TumorDrug DiscoveryOrganometallic CompoundsmedicineHumansCytotoxic T cellFerrous CompoundsBIOLOGICAL-PROPERTIESGroup 2 organometallic chemistryCisplatinHEK 293 cellsIn vitroPLATINUM(II) COMPLEXESHEK293 CellschemistryCELL-DEATHCell cultureCancer cellMolecular MedicineMETAL-COMPLEXESCisplatinOrganogold CompoundsPalladiumX-RAY-STRUCTUREPalladiummedicine.drug
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Preparation and Characterization of P2 BCh Ring Systems (Ch=S, Se) and Their Reactivity with N-Heterocyclic Carbenes

2018

Four-membered rings with a P2BCh core (Ch = S, Se) have been synthesized via reaction of phosphinidene chalcogenide (Ar*P=Ch) and phosphaborene (Mes*P=BNR2). The mechanistic pathways towards these rings are explained by detailed computational work that confirmed the preference for the formation of P–P, not P–B, bonded systems, which seems counterintuitive given that both phosphorus atoms contain bulky ligands. The reactivity of the newly synthesized heterocycles, as well as that of the known (RPCh)n rings (n = 2, 3), was probed by the addition of Nheterocyclic carbenes, which revealed that all investigated compounds can act as sources of low-coordinate phosphorus species. peerReviewed

BOND COVALENT RADIIChalcogenidePHOSPHINIDENE ADDUCTSSULFURchemistry.chemical_element010402 general chemistryRing (chemistry)ION ABSTRACTION01 natural sciencesMedicinal chemistryCatalysischemistry.chemical_compoundELEMENTSmain-group heterocyclesReactivity (chemistry)N-heterocyclic carbenesMETHYLENEPHOSPHINEta116epäorgaaniset yhdisteetphosphinidene chalcogenidesheterocycleskemiallinen synteesiphosphaborenes010405 organic chemistryPhosphorusOrganic ChemistryGeneral ChemistryREAGENT0104 chemical sciencesCharacterization (materials science)PHOSPHORUSchemistryPhosphinideneinorganic compoundsSULFURIZATIONchemical synthesisX-RAY-STRUCTUREChemistry - A European Journal
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Recent Advances of Spin Crossover Research

2004

Thermal spin transition (spin crossover), one of the most fascinating dynamic electronic structure phenomena occurring in coordination compounds of third row transition metal ions, mostly of iron(II), iron(III) and cobalt(II) with critical ligand field strengths competing with the spin pairing energy, has attracted increasing attention by many research groups. One of the reasons is the promising potential for practical applications. In this chapter we intend to cover essential recent work, primarily accomplished within the European research network on "Thermal and Optical Switching of Molecular Spin States (TOSS)". New spin crossover compounds and their thermal spin transition behaviour, al…

NUCLEAR INELASTIC-SCATTERINGLigand field theorySpin statescooperativitySpin transitionElectronic structurephysical propertiespressurespin crossoverSpin crossoverINTRAMOLECULAR MAGNETIC INTERACTIONlight effectsIRON(II) COMPLEXESSpin-½TRANSITION MOLECULAR MATERIALSLONG-RANGE INTERACTIONCondensed matter physicsChemistrySpin engineeringISING-LIKE SYSTEMSPairingPHOTOINDUCED PHASE-TRANSITIONSTATE TRAPPING LIESSTCondensed Matter::Strongly Correlated ElectronsX-RAY-STRUCTURELIGHT-INDUCED BISTABILITY
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Effect of Protonated Organic Cations and Anion−π Interactions on the Magnetic Behavior of Hexabromorhenate(IV) Salts

2015

Two novel Re-IV compounds of formula (Hbpym)(2)[(ReBr6)-Br-IV]center dot 4H(2)O (1) and (H(4)biim)[(ReBr6)-Br-IV]center dot 4H(2)O (2) [Hbpym(+) = 2,2'-bipyrimidinium cation and H(4)biim(2+) = 2,2'-biimidazolium dication] have been prepared and magnetostructurally characterized. 1 and 2 exhibit distinct crystal packing, and the presence of weak intermolecular contacts, such as Re-Br...B-rRe (1 and 2), Re-Br center dot center dot center dot(H2O)center dot center dot center dot BrRe (1 and 2), and Re-Br center dot center dot center dot pi center dot center dot center dot Br-Re (2), lead to different magnetic behaviors. While 1 is antiferromagnetic, 2 is a ferromagnetic compound and indeed the…

chemistry.chemical_classificationStereochemistryIntermolecular forceSalt (chemistry)ProtonationGeneral ChemistryCondensed Matter Physics3. Good healthDicationIonCrystalCrystallographychemistryFerromagnetismAntiferromagnetismCOMPLEXESGeneral Materials ScienceX-RAY-STRUCTURECrystal Growth & Design
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Structural and magnetic characterization of a 1D chain of [Co(II)2(mu-aqua)(mu-carboxylate)2] strung cores.

2009

A novel 1D chain built up from stringing of [Co2(μ-OH 2)(μ-O2CC(CH3)3)2] units with the bridging 2,2′-bipyrimidine ligand has been synthesized and structurally characterized. The chains are well isolated from each other by the bulky tert-butyl groups of the carboxlyates and show an alternating zigzag configuration for the Co(II) metallic centres. DC magnetic measurements show anti-ferromagnetic coupling, Jca.-3 cm-1 between adjacent Co(II) ions along the chain. Noticeably, good data fitting was obtained by means of simple models that neglect any kind of first order orbital contribution to the spin ground state, which is normally observed in Co(II) complexes. These results were further confi…

Models MolecularField dependenceCrystal structureCrystallography X-RayLigandsIonInorganic ChemistryMetalMagnetizationchemistry.chemical_compoundMagneticsComputational chemistryOrganometallic CompoundsCRYSTAL-STRUCTUREComputer SimulationCarboxylateChemistryOtras Ciencias QuímicasCiencias QuímicasSINGLE-MOLECULE MAGNETSCrystallographyPyrimidinesZigzagModels Chemicalvisual_artvisual_art.visual_art_mediumQuantum TheoryGround stateCOORDINATION POLYMERSX-RAY-STRUCTURECIENCIAS NATURALES Y EXACTASDalton transactions (Cambridge, England : 2003)
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Gold(I) Complexes of Ferrocenyl Polyphosphines: Aurophilic Gold Chloride Formation and Phosphine-Concerted Shuttling of a Dinuclear [ClAu···AuCl] Fra…

2016

International audience; A smart steric control of the metallocene backbone in bis- and poly(phosphino)ferrocene ligands favors intramolecular aurophilic interactions between [AuCl] fragments in polynuclear gold(I) complexes. We synthesized and characterized by multinuclear NMR and X-ray diffraction analysis mono-, di-, and polynuclear gold complexes of constrained ferrocenyl diphosphines, which bear either bulky tert-butyl groups or more flexible siloxane substituents at the cyclopentadienyl rings. The complexes meso-1,1'-bis-(diphenylphosphino)-3,3'-di-tert-butylferrocene (4-m), rac-1,1'-bis[bis-(5-methy1-2-furyl)phosphino]-3,3'-di-tert-butyfferrocene (5-r), and rac-1,1'-bis ( diphenylphos…

Steric effectsbasis-setscoordination-complexesStereochemistry[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistry01 natural sciencesMedicinal chemistryInorganic Chemistrytopological analysischemistry.chemical_compoundelectron localizationCyclopentadienyl complexantitumor-activityDiphosphinesmolecular-orbital methodsPhysical and Theoretical Chemistryx-ray-structurep-31 nmr010405 organic chemistryLigandcrystal-structure[ CHIM.INOR ] Chemical Sciences/Inorganic chemistryspin couplings0104 chemical scienceschemistryFerroceneIntramolecular forceMetallocenePhosphine
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