Search results for "catalysis"

showing 10 items of 5944 documents

Formation and trapping of the thermodynamically unfavoured inverted-hemicucurbit[6]uril

2019

Amplification of a thermodynamically unfavoured macrocyclic product through the directed shift of the equilibrium between dynamic covalent chemistry library members is difficult to achieve. We show for the first time that during condensation of formaldehyde and cis-N,N'-cyclohexa-1,2-diylurea formation of inverted-cis-cyclohexanohemicucurbit[6]uril (i-cis-cycHC[6]) can be induced at the expense of thermodynamically favoured cis-cyclohexanohemicucurbit[6]uril (cis-cycHC[6]). The formation of i-cis-cycHC[6] is enhanced in low concentration of the templating chloride anion and suppressed in excess of this template. We found that reaction selectivity is governed by the solution-based template-a…

010405 organic chemistryPrecipitation (chemistry)Metals and AlloysDiastereomerGeneral ChemistryTrapping010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialschemistry.chemical_compoundchemistryComputational chemistryYield (chemistry)Materials ChemistryCeramics and CompositesTrifluoroacetic acidDynamic combinatorial chemistrySelectivityBinding affinitiesChemical Communications
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Comparative hydroamination of aniline and substituted anilines with styrene on different zeolites, triflate based catalysts and their physical mixtur…

2014

Abstract Catalytic performances of different zeolites (Beta and mordenites), scandium triflate based catalysts, mesoporous UVM-7 encapsulated scandium triflate and physical mixtures prepared under ultrasound irradiation were evaluated in the hydroamination of aniline and substituted anilines with styrene. The performances of these catalysts were controlled by the type of acidity and strength. Thus, the conversion was mainly controlled by the strength of the acid sites and their accessibility, while the selectivity appeared to be controlled by the Lewis/Bronsted type of acidity. Lewis acid catalysts directed the reactions mainly to the formation of the Markovnikov adducts while Bronsted acid…

010405 organic chemistryProcess Chemistry and TechnologyMarkovnikov's rulechemistry.chemical_element010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesCatalysischemistry.chemical_compoundAnilinechemistryOrganic chemistryScandiumHydroaminationLewis acids and basesBrønsted–Lowry acid–base theoryTrifluoromethanesulfonateApplied Catalysis A: General
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Hierarchical Beta zeolites obtained in concentrated reaction mixtures as catalysts in tetrahydropyranylation of alcohols

2020

Abstract Hierarchical zeolites consisting of Beta nanoparticles (15–40 nm) were obtained via hydrothermal treatment of a concentrated zeolite gel-precursor (H2O/Si = 2.5–14) without utilization of complex SDAs. The proposed approach is based on the formation of a large number of zeolite nuclei under particular crystallization conditions, followed by their agglomeration resulting in the dense packing of the particles preventing their further growth. The micelles of cetyltrimethylammonium bromide (CTAB) can be used to additionally limit the growth of zeolite nanoparticles during hydrothermal treatment of concentrated reaction mixtures. Such deceleration of crystallization promotes the formati…

010405 organic chemistryProcess Chemistry and TechnologyNanoparticle010402 general chemistry01 natural sciencesMicelleCatalysis0104 chemical sciencesCatalysislaw.inventionAmorphous solid[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistrychemistry.chemical_compoundChemical engineeringchemistrylawAluminosilicateBromideCrystallizationZeoliteComputingMilieux_MISCELLANEOUS
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Kinetic and Electrochemical Studies of the Oxidative Addition of Demanding Organic Halides to Pd(0): the Efficiency of Polyphosphane Ligands in Low P…

2013

International audience; Oxidative addition (OA) of organic halides to palladium(0) species is a fundamental reaction step which initiates the C–C bond formation catalytic processes typical of Pd(0)/Pd(II) chemistry. The use of structurally congested polyphosphane ligands in palladium-catalyzed C–C bond formation has generated very high turnover numbers (TONs) in topical reactions such as Heck, Suzuki, Sonogashira couplings, and direct sp2C–H functionalization. Herein, the OA of aryl bromides to Pd(0) complexes stabilized by ferrocenylpolyphosphane ligands L1 (tetraphosphane), L2 (triphosphane), and L3 (diphosphane) is considered. The investigation of kinetic constants for the addition of Ph…

010405 organic chemistryReaction stepInorganic chemistrychemistry.chemical_elementHalide[CHIM.CATA]Chemical Sciences/CatalysisBond formation010402 general chemistryPhotochemistryKinetic energyElectrochemistry01 natural sciencesOxidative addition0104 chemical sciencesCatalysisInorganic Chemistry[ CHIM.CATA ] Chemical Sciences/CatalysischemistryPhysical and Theoretical ChemistryPalladium
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Highly Anisotropic Rhenium(IV) Complexes: New Examples of Mononuclear Single-Molecule Magnets

2013

The rhenium(IV) complex (NBu4)2[ReBr4(ox)] (1) (ox = oxalate and NBu4(+) = tetra-n-butylammonium cation) has been prepared and its crystal structure determined by X-ray diffraction. The structure is made up of discrete [ReBr4(ox)](2-) anions and bulky NBu4(+) cations. Each [ReBr4(ox)](2-) anion is surrounded by six NBu4(+) cations, which preclude any significant intermolecular contact between the anionic entities, the shortest rhenium···rhenium distance being 9.373(1) Å. Variable temperature dc and ac magnetic susceptibility measurements and field-dependent magnetization experiments on polycrystalline samples of 1 reveal the occurrence of highly anisotropic magnetically isolated Re(IV) cent…

010405 organic chemistryRelaxation (NMR)Inorganic chemistrychemistry.chemical_elementGeneral ChemistryCrystal structureRhenium010402 general chemistry01 natural sciencesBiochemistryMagnetic susceptibilityCatalysisOxalate3. Good health0104 chemical sciencesMagnetizationchemistry.chemical_compoundCrystallographyColloid and Surface ChemistrychemistryMolecule[PHYS.COND.CM-SCE]Physics [physics]/Condensed Matter [cond-mat]/Strongly Correlated Electrons [cond-mat.str-el]IsostructuralComputingMilieux_MISCELLANEOUSJournal of the American Chemical Society
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Enantiomeric Resolution of Asymmetric-Carbon-Free Binuclear Double-Stranded Cobalt(III) Helicates and Their Application as Catalysts in Asymmetric Re…

2018

A series of double-stranded binuclear helicates [Co2(H1)2]4+, [Co2(H2)2]4+, and [Co2(H3)2]4+, derived from monodeprotonated bis-pyridyl hydrazine-based ligands of H21, H22, and H23 with one, two, and three -CH2 spacers, were obtained. These asymmetric-carbon-free racemic helicates were separated into their ΔΔ and ΛΛ enantiomers. The resolved helicates were examined for the first time as enantioselective catalysts in asymmetric benzoylation and nitroaldol reactions.

010405 organic chemistryResolution (electron density)HydrazineEnantioselective synthesischiralitychemistry.chemical_elementkompleksiyhdisteet010402 general chemistry01 natural sciencessupramolecular chemistry0104 chemical sciencesCatalysisInorganic ChemistryCrystallographychemistry.chemical_compoundchemistryAsymmetric carbonsupramolekulaarinen kemiacoordination complexesPhysical and Theoretical ChemistryEnantiomerta116CobaltDouble strandedInorganic Chemistry
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Unexpected Scholl Reaction of 6,7,13,14-Tetraarylbenzo[k]tetraphene: Selective Formation of Five-Membered Rings in Polycyclic Aromatic Hydrocarbons

2016

Cyclodehydrogenation is a versatile reaction that has enabled the syntheses of numerous polycyclic aromatic hydrocarbons (PAHs). We now describe a unique Scholl reaction of 6,7,13,14-tetraarylbenzo[k]tetraphene, which "unexpectedly" forms five-membered rings accompanying highly selective 1,2-shift of aryl groups. The geometric and optoelectronic nature of the resulting bistetracene analogue with five-membered rings is comprehensively investigated by single-crystal X-ray, NMR, UV-vis absorption, and cyclic voltammetry analyses. Furthermore, a possible mechanism is proposed to account for the selective five-membered-ring formation with the rearrangement of the aryl groups, which can be ration…

010405 organic chemistryStereochemistryArylGeneral Chemistry010402 general chemistryHighly selective01 natural sciencesBiochemistryCatalysis0104 chemical sciencesScholl reactionchemistry.chemical_compoundColloid and Surface ChemistrychemistryComputational chemistryDensity functional theoryAbsorption (chemistry)Cyclic voltammetryTetrapheneJournal of the American Chemical Society
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Nature of (C5Me5)2Mo2O5in water–methanol at pH 0–14. On the existence of (C5Me5)MoO2(OH) and (C5Me5)MoO2+: a stopped-flow kinetic analysis

2002

A stopped-flow analysis of compound Cp*2Mo2O5 (Cp* = η5-C5Me5) in 20% MeOH–H2O over the pH range 0–14 has provided the speciation of this molecule as well as the rate and mechanism of interconversion between the various species that are present in solution. The compound is a strong electrolyte in this solvent combination, producing the Cp*MoO2+ and Cp*MoO3− ions in equilibrium with a small amount of Cp*MoO2(OH), the latter attaining ca. 15% relative amount at pH 4. At low pH (  6. The acid dissociation constant of Cp*MoO2(OH) has been measured directly (pK = 3.65 ± 0.02) while the pK for the protonation equilibrium leading to Cp*MoO3H2+ is estimated as  5. The prevalent pathway at high pH i…

010405 organic chemistryStereochemistryChemistryInorganic chemistryKineticsProtonationGeneral Chemistry010402 general chemistry01 natural sciencesCatalysisAcid dissociation constant0104 chemical sciencesCatalysisMetalSolventStrong electrolytevisual_artMaterials Chemistryvisual_art.visual_art_mediumMoleculeNew J. Chem.
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Thiourea-Catalyzed Domino Michael–Mannich [3+2] Cycloadditions: A Strategy for the Asymmetric Synthesis of 3,3′-Pyrrolidinyl-dispirooxindoles

2017

The asymmetric synthesis of trifluoromethylated 3,3′-pyrrolidinyl-dispirooxindole derivatives with four contiguous stereogenic centers, including two vicinal spiro-stereocenters, is described. Employing a bifunctional thiourea catalyst, a domino Michael–Mannich [3+2] cycloaddition occurs readily between isatin ketimines and isatin-derived enoates with good yields and very high stereoselectivities, providing a direct entry to the title compounds of potential medical value.

010405 organic chemistryStereochemistryIsatinOrganic ChemistryEnantioselective synthesis010402 general chemistry01 natural sciencesCombinatorial chemistryCycloadditionDomino0104 chemical sciencesStereocenterchemistry.chemical_compoundchemistryCascade reactionThioureaOrganocatalysisSynlett
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Organocatalytic Asymmetric Synthesis of 2,3′-Connected Bis-Indolinones by Mannich Reactions of N-Acetylindolin-3-ones with Isatin N-Boc Ketimines

2017

A highly diastereo- and enantioselective Mannich reaction of N-acetylindolin-3-ones with isatin N-Boc ketimines to form 2,3′-connected bis-indolinones is developed employing a low loading of a readily available bifunctional thiourea catalyst. The asymmetric synthesis connects two indolinones via a vic-diamine unit and generates two neighboring stereocenters.

010405 organic chemistryStereochemistryIsatinOrganic ChemistryEnantioselective synthesis010402 general chemistry01 natural sciencesMedicinal chemistryCatalysis0104 chemical sciencesStereocenterchemistry.chemical_compoundchemistryThioureaOrganocatalysisDiamineBifunctionalMannich reactionSynthesis
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