Search results for "COPPER-COMPLEXES"

showing 3 items of 3 documents

Di- and Tetrairon(III) μ-Oxido Complexes of an N3S-Donor Ligand: Catalyst Precursors for Alkene Oxidations

2019

The new di- and tetranuclear Fe(III) μ-oxido complexes [Fe 4 (μ-O) 4 (PTEBIA) 4 ](CF 3 SO 3 ) 4 (CH 3 CN) 2 ] (1a), [Fe 2 (μ-O)Cl 2 (PTEBIA) 2 ](CF 3 SO 3 ) 2 (1b), and [Fe 2 (μ-O)(HCOO) 2 (PTEBIA) 2 ](ClO 4 ) 2 (MeOH) (2) were prepared from the sulfur-containing ligand (2-((2,4-dimethylphenyl)thio)-N,N-bis ((1-methyl-benzimidazol-2-yl)methyl)ethanamine (PTEBIA). The tetrairon complex 1a features four μ-oxido bridges, while in dinuclear 1b, the sulfur moiety of the ligand occupies one of the six coordination sites of each Fe(III) ion with a long Fe-S distance of 2.814(6) A. In 2, two Fe(III) centers are bridged by one oxido and two formate units, the latter likely formed by methanol oxidati…

MECHANISMFe-S interactionoxidation116 Chemical sciencesThio-rautaSULFURHomogeneous catalysis02 engineering and technology010402 general chemistry01 natural sciencesMedicinal chemistrythioetherCatalysislcsh:Chemistrychemistry.chemical_compoundThioetheriron-oxo complexAcetonitrileta116Fe-S interaction; homogeneous catalysis; iron-oxo complex; oxidation; thioetherOriginal Researchchemistry.chemical_classificationeetteritFUNCTIONAL-MODELCOORDINATIONPEROXIDEAlkeneLigandACTIVE-SITEhapettuminenGeneral Chemistrykompleksiyhdisteet021001 nanoscience & nanotechnology540COPPER-COMPLEXEShomogeneous catalysis0104 chemical sciencesChemistrychemistrylcsh:QD1-999katalyysiACIDOXO0210 nano-technologySelectivityNONHEME IRON CATALYSTSFrontiers in Chemistry
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Translocation versus cyclisation in radicals derived from N-3-alkenyl trichloroacetamides

2011

Under radical reaction conditions, two different and competitive reaction pathways were observed for N-(alpha-methylbenzyl)trichloroacetamides with a N-3-cyclohexenyl substituent: 1,4-hydrogen translocation and radical addition to a double bond. However, for radicals with an acyclic alkenyl side chain, the direct cyclisation process was exclusively observed. The dichotomy between translocation and direct radical cyclisation in these substrates has been theoretically studied using density functional theory (DFT) methods at the B3LYP/6-31G** computational level.

Models MolecularFree RadicalsDouble bondStereochemistryRadicalSubstituentChromosomal translocationAlkenesBiochemistryPolarizable continuum modelchemistry.chemical_compoundQUIMICA ORGANICAAcetamidesQUIMICA ANALITICASide chainMoleculeTOOLChloroacetatesTrichloroacetic AcidPhysical and Theoretical ChemistryAMIDESchemistry.chemical_classificationMolecular StructureChemistryOrganic ChemistryCOPPER-COMPLEXESCyclizationPOLARIZABLE CONTINUUM MODELDensity functional theory
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Cadmium Metal–Organic Frameworks Based on Ditopic Triazamacrocyclic Linkers: Unusual Structural Features and Selective CO 2 Capture

2017

International audience; Two three-dimensional cadmium metal organic frameworks with general formula [Cd-2(L-1)(H2O)(3)](NO3)(0.7)(HCOO)(0.2)Br-0.1 (Cd2L1, L-1 = 1,4,7-tris(4-carboxybenzy1)-1,4,7-triazacyclononane) and Cd(HL2)(H2O)(2) (CdL2, L-2 = 1,4,7-tris(3-(4-benzoate)prop-2-yn-1-yl)-1,4,7-triazacydononane) based on 1,4,7-triazacyclononane N-functionalized by different arylcarboxylic acids were prepared under solvothermal conditions and characterized by single crystal X-ray analysis and porosity measurements. The crystal structure of Cd2L1 reveals a cationic net with a bcs topology,. and nodes are constituted by dinuclear cadmium complexes, in which each cadmium atom adopts a hexacoordin…

zeolitic imidazolate frameworksInorganic chemistrycopper-complexeschemistry.chemical_element02 engineering and technologyCrystal structure010402 general chemistry01 natural sciences[ CHIM ] Chemical Sciencescarbon-dioxide capturechemistry.chemical_compound[ CHIM.CRIS ] Chemical Sciences/Cristallography[CHIM.CRIS]Chemical Sciences/Cristallography[CHIM]Chemical Sciencesambient conditionsGeneral Materials ScienceCarboxylatebuilding unitsPorositywater stabilityTopology (chemistry)CadmiumCationic polymerizationgas-adsorptionGeneral Chemistry[CHIM.MATE]Chemical Sciences/Material chemistry021001 nanoscience & nanotechnologyCondensed Matter Physicsporous coordination polymers0104 chemical sciences3. Good healthCrystallographysingle-crystalchemistrystructure validation[ CHIM.MATE ] Chemical Sciences/Material chemistryAmine gas treating0210 nano-technologySingle crystal
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