Search results for "Metallocenes"

showing 10 items of 23 documents

[3.3]Ferrocenophanes with guanidine bridging units as multisignalling receptor molecules for selective recognition of anions, cations, and amino acid…

2007

The synthesis, electrochemical, and optical properties of a new [3.3]ferrocenophane framework in which two ferrocene subunits, with similar electronic environments, are linked through two substituted guanidine moieties, are reported. The receptors 4-7 have been prepared in good yields by the reaction of bis(carbodiimide) 3 with primary amines. This architecture is exceptionally "tunable" because a variety of "legs" may be appended to the basic [3.3]ferrocenophane scaffold to give a wide range of signaling units. These receptors show remarkable ion-sensing properties, due to the presence of a redox active unit (ferrocene), and an amphoteric binding site (guanidine). In this nitrogen-rich str…

AnionsModels MolecularMetallocenesInorganic chemistryCrystallography X-RayRedoxCatalysisMetalchemistry.chemical_compoundMolecular recognitionCationsElectrochemistryMoleculeFerrous CompoundsAmino AcidsGuanidineGuanidineCarbodiimideFluorescent Dyeschemistry.chemical_classificationSpectrum AnalysisOrganic ChemistryGeneral ChemistryAmino acidCrystallographyFerrocenechemistryvisual_artvisual_art.visual_art_mediumChemistry (Weinheim an der Bergstrasse, Germany)
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Diastereoselective Insertion of Isocyanide into the Alkyl−Metal Bond of Methylbenz[ e ]indenyl ansa ‐Zirconocene Complexes

2004

Alkylation of ansa-zirconocene [Zr{(η5-C5H5)SiMe2(MBI)}Cl2] (MBI = η5-2-Me−C13H7) with MgRCl gave the dimethyl complex [Zr{(η5-C5H5)SiMe2(MBI)}Me2], but unresolvable mixtures containing mono-alkylated compounds were obtained when bulkier alkyls were used. However pure dialkyl complexes [Zr{(η5-C5H5)SiMe2(MBI)}R2] (R = CH2Ph, CH2SiMe3) were easily obtained using K(CH2Ph) and Li(CH2SiMe3) as alkylating agents. Diastereoselective insertion into the MBI-unprotected Zr−R bond was observed when all of these dialkyl complexes were treated with 2,6-xylyl isocyanide to give the iminoacyl compounds [Zr{(η5-C5H5)SiMe2(MBI)}R{CR[η2-N-(2,6-xylyl)]}] (R = Me, CH2Ph, CH2SiMe3). All of the new complexes we…

Cienciachemistry.chemical_classificationZirconiumMetallocenesStereochemistryScienceIsocyanidechemistry.chemical_elementSCIENCEIsocyanidesAlkylationMedicinal chemistryQuímica inorgánicaPolymerizationInorganic Chemistrychemistry.chemical_compoundchemistryPolymerizationCIENCIAZirconiumInsertionChemistry inorganicAlkylMetallic bondingEuropean Journal of Inorganic Chemistry
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New efficient artemisinin derived agents against human leukemia cells, human cytomegalovirus and Plasmodium falciparum: 2nd generation 1,2,4-trioxane…

2015

Abstract In our ongoing search for highly active hybrid molecules exceeding their parent compounds in anticancer, antimalaria as well as antiviral activity and being an alternative to the standard drugs, we present the synthesis and biological investigations of 2nd generation 1,2,4-trioxane-ferrocene hybrids. In vitro tests against the CCRF-CEM leukemia cell line revealed di-1,2,4-trioxane-ferrocene hybrid 7 as the most active compound (IC50 of 0.01 μM). Regarding the activity against the multidrug resistant subline CEM/ADR5000, 1,2,4-trioxane-ferrocene hybrid 5 showed a remarkable activity (IC50 of 0.53 μM). Contrary to the antimalaria activity of hybrids 4–8 against Plasmodium falciparum …

Human cytomegalovirusMetallocenesPlasmodium falciparumHeterocyclic Compounds 4 or More RingsInhibitory Concentration 50chemistry.chemical_compoundHeterocyclic CompoundsCell Line TumorDrug DiscoverymedicineHumansFerrous CompoundsArtemisininIC50HybridPharmacologyLeukemiabiologyOrganic ChemistryPlasmodium falciparumGeneral Medicinebiology.organism_classificationmedicine.diseaseVirologyArtemisininsDrug Resistance MultipleMultiple drug resistanceBiochemistryFerrocenechemistry124-Trioxanemedicine.drugEuropean Journal of Medicinal Chemistry
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Conformational Analysis of beta-Lactam-Containing Ferrocene Peptides

2009

The homochiral 3-amino-1-(4-methoxyphenyl)-4-phenyl-beta-lactam (≡ Alm) was conjugated with Boc-Ala giving Ala-Alm (9) after Boc-deprotection (Boc = tert-butoxycarbonyl, Ala = alanine). Coupling of FcCOOH (1) and Boc-Fca (10) with “ dipeptide” 9 resulted in the formation of FcCO-Ala-Alm (12) and the trisamide Boc-Fca-Ala-Alm (13), respectively (Fc = ferrocenyl, Fca = 1’ -aminoferrocene-1-carboxylic acid). The reactions were accomplished by the HOBt/EDC procedure and the products were obtained in good yields (HOBt = 1-hydroxybenzotriazole, EDC = N-(3-dimethylaminopropyl)-N’ -ethylcarbodiimide hydrochloride). Symmetrically 1, 1’ -disubstituted “ tetrapeptide” Fn(CO-Ala-Alm)2 (14) was prepared…

Inorganic Chemistryconformation analysis ; density functional calculations ; hydrogen bonds ; metallocenes ; molecular modelingchemistry.chemical_compoundDipeptidechemistryMolecular modelTetrapeptideFerroceneHydrogen bondStereochemistryIntramolecular forceLactamConjugated system
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Ion pair recognition receptor based on an unsymmetrically 1,1'-disubstituted ferrocene-triazole derivative.

2012

The ferrocene-triazole derivative 4, available from 1,1'-bis(diazido)ferrocene by sequential functionalization through click-type chemistry and the Staudinger reaction, is elaborated as a lab-on-a-molecule for the selective sensing of HP(2)O(7)(3-) and Hg(2+). Receptor 4 behaves as a ratiometric fluorescent probe for HP(2)O(7)(3-) with a good selectivity over other anions, whereas in the presence of Hg(2+) it modifies the fluorescent emission of the pyrene unit, acting as a selective on-off fluorescent sensor for Hg(2+) with a low detection limit. The most salient feature of compound 4 is its behavior as an excellent electrooptical ion pair recognition receptor able to simultaneously recogn…

IonsMagnetic Resonance SpectroscopyMetallocenesOrganic ChemistryTriazolesPhotochemistryFluorescenceRedoxIonchemistry.chemical_compoundchemistryFerroceneElectrochemistryPyreneSpectrophotometry UltravioletStaudinger reactionFerrous CompoundsSelectivityDerivative (chemistry)Fluorescent DyesThe Journal of organic chemistry
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Uranocenium: Synthesis, Structure, and Chemical Bonding

2019

Abstraction of iodide from [(η5 -C5 i Pr5 )2 UI] (1) produced the cationic uranium(III) metallocene [(η5 -C5 i Pr5 )2 U]+ (2) as a salt of [B(C6 F5 )4 ]- . The structure of 2 consists of unsymmetrically bonded cyclopentadienyl ligands and a bending angle of 167.82° at uranium. Analysis of the bonding in 2 showed that the uranium 5f orbitals are strongly split and mixed with the ligand orbitals, thus leading to non-negligible covalent contributions to the bonding. Investigation of the dynamic magnetic properties of 2 revealed that the 5f covalency leads to partially quenched anisotropy and fast magnetic relaxation in zero applied magnetic field. Application of a magnetic field leads to domin…

Materials sciencemagneettiset ominaisuudetElectronic structureorganometalliyhdisteet010402 general chemistry01 natural sciencesCatalysischemistry.chemical_compoundsymbols.namesakekemialliset sidoksetCyclopentadienyl complexkemiallinen synteesi010405 organic chemistryLigandRelaxation (NMR)chemical bondingGeneral MedicineGeneral Chemistrymetalloceneselectronic structure0104 chemical sciencesCrystallographychemistryChemical bonduraaniCovalent bondsymbolsRaman spectroscopyMetalloceneAngewandte Chemie International Edition
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Isolation of a perfectly linear uranium(II) metallocene

2020

Reduction of the uranium(III) metallocene [(eta(5)-(C5Pr5)-Pr-i)(2)UI] (1) with potassium graphite produces the "second-generation" uranocene [(eta(5)-(C5Pr5)-Pr-i)(2)U] (2), which contains uranium in the formal divalent oxidation state. The geometry of 2 is that of a perfectly linear bis(cyclopentadienyl) sandwich complex, with the ground-state valence electron configuration of uranium(II) revealed by electronic spectroscopy and density functional theory to be 5f(3) 6d(1). Appreciable covalent contributions to the metal-ligand bonds were determined from a computational study of 2, including participation from the uranium 5f and 6d orbitals. Whereas three unpaired electrons in 2 occupy orbi…

Materials sciencemagneettiset ominaisuudetchemistry.chemical_elementorganometalliyhdisteet010402 general chemistry01 natural sciencesElectron spectroscopyCatalysisuraniumchemistry.chemical_compoundkemialliset sidoksetUranoceneCyclopentadienyl complex010405 organic chemistrychemical bondingGeneral MedicineGeneral ChemistryUraniummetalloceneselectronic structure0104 chemical sciencesCrystallographychemistryUnpaired electronuraaniDensity functional theorymagnetic propertiesQD0146Valence electronMetallocene
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New concepts in multidentate ligand chemistry: effects of multidentarity on catalytic and spectroscopic properties of ferrocenyl polyphosphines.

2008

This tutorial review devoted to ligand chemistry deals with the design and properties of ferrocenyl polyphosphines, an original class of multidentate ligands. The development of a varied library of ferrocenyl tetra-, tri- and diphosphine ligands is reviewed. The multidentate nature of these species has led to unique spectroscopic and catalytic properties, in which the spatial proximity of phosphorus atoms is crucial. Regarding their catalytic applications, the key issues of catalyst longevity and ultralow catalyst loadings are discussed. Another part is concerned with fundamental advances gained in physical chemistry for structure elucidation by the study of the intriguing “through-space” N…

Models MolecularDenticityMagnetic Resonance SpectroscopyMetallocenesferrocenyl polyphosphinesSuzukiMolecular ConformationSonogashira coupling010402 general chemistryLigands01 natural sciencescatalystsCatalysisCatalysis[ CHIM.CATA ] Chemical Sciences/Catalysisthrough-space interactionOrganometallic CompoundsOrganic chemistryCombinatorial Chemistry Techniques[CHIM.COOR]Chemical Sciences/Coordination chemistryFerrous CompoundsAminationComputingMilieux_MISCELLANEOUSGroup 2 organometallic chemistryCombinatorial Chemistry Techniquesnuclear spin-spin coupling010405 organic chemistryChemistryLigand[ CHIM.COOR ] Chemical Sciences/Coordination chemistrySonogashiraaminationStereoisomerismGeneral ChemistryNuclear magnetic resonance spectroscopy[CHIM.CATA]Chemical Sciences/CatalysisReference StandardsCombinatorial chemistry0104 chemical sciencesmultidentarityHeckChemical Society reviews
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Oligonuclear Ferrocene Amides: Mixed‐Valent Peptides and Potential Redox‐Switchable Foldamers

2010

Trinuclear ferrocene tris-amides were synthesized from an Fmoc- or Boc-protected ferrocene amino acid, and hydrogen-bonded zigzag conformations were determined by NMR spectroscopy, molecular modelling, and X-ray diffraction. In these ordered secondary structures orientation of the individual amide dipole moments approximately in the same direction results in a macrodipole moment similar to that of α-helices composed of α-amino acids. Unlike ordinary α-amino acids, the building blocks in these ferrocene amides with defined secondary structure can be sequentially oxidized to mono-, di-, and trications. Singly and doubly charged mixed-valent cations were probed experimentally by Vis/NIR, param…

Models MolecularMagnetic Resonance SpectroscopyMolecular StructureMetallocenesHydrogen bondOrganic ChemistryInorganic chemistryMolecular ConformationGeneral ChemistryNuclear magnetic resonance spectroscopyIntervalence charge transferAmidesCatalysischemistry.chemical_compoundCrystallographyFerrocenechemistryIntramolecular forceAmideMoleculeFerrous CompoundsPeptidesOxidation-ReductionProtein secondary structureChemistry – A European Journal
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Congested ferrocenyl polyphosphanes bearing electron-donating or electron-withdrawing phosphanyl groups: assessment of metallocene conformation from …

2011

International audience; The synthesis of novel substituted cyclopentadienyl salts that incorporate both a congested branched alkyl group (tert-butyl, (triphenyl)methyl, or tri(4-tert-butyl)phenylmethyl) and a phosphanyl group is reported. The introduction of either electron-withdrawing or electron-donating substituents (furyl, i-propyl, cyclohexyl, tert-butyl) on P atoms was generally achieved in high yield. The modular synthesis of ferrocenyl polyphosphanes from an assembly of these cyclopentadienyl salts was investigated, leading to the formation of new triphosphanes (denoted as 9-12) and diphosphanes (denoted as 14-16). The resulting phosphanes are not sensitive to air or moisture, even …

Models MolecularMagnetic Resonance SpectroscopyStereochemistryMetallocenesPhosphinesMolecular Conformationchemistry.chemical_elementElectronsElectron[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistryChlorobenzenes01 natural sciencesMedicinal chemistryCatalysisCatalysisInorganic Chemistrychemistry.chemical_compoundCyclopentadienyl complexOrganometallic CompoundsFerrous CompoundsPhysical and Theoretical ChemistrySpin (physics)Alkylchemistry.chemical_classification010405 organic chemistry[ CHIM.INOR ] Chemical Sciences/Inorganic chemistry0104 chemical scienceschemistryPolar effectMetallocenePalladiumPalladium
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