Search results for " Bases"

showing 10 items of 272 documents

Unveiling the Lewis Acid Catalyzed Diels–Alder Reactions Through the Molecular Electron Density Theory

2020

The effects of metal-based Lewis acid (LA) catalysts on the reaction rate and regioselectivity in polar Diels&ndash

Models MolecularReaction mechanismDieneChemistry OrganicMolecular ConformationNormal DistributionPharmaceutical ScienceElectrons010402 general chemistry01 natural sciencesArticleAnalytical ChemistryCatalysisReaction ratelcsh:QD241-441chemistry.chemical_compoundNucleophilelcsh:Organic chemistryComputational chemistryDrug DiscoveryButadienesLewis acids and basesPhysical and Theoretical ChemistryLewis Acidsrelation mechanismCycloaddition Reactioncatalysis010405 organic chemistryOrganic Chemistrymolecular electron density theoryRegioselectivityLewis acid0104 chemical sciences3. Good healthchemistryChemistry (miscellaneous)ElectrophileDiels–AlderSolventsMolecular MedicineQuantum TheoryThermodynamicsMolecules
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Use of a reduced Schiff-Base ligand to prepare novel chloro-bridged chains of rare Cu(II) trinuclear complexes with mixed azido/oxo and chloro/oxo br…

2010

Two mixed bridged one-dimensional (1D) polynuclear complexes, [Cu(3)L(2)(mu(1,1)-N(3))(2)(mu-Cl)Cl](n) (1) and {[Cu(3)L(2)(mu-Cl)(3)Cl].0.46CH(3)OH}(n) (2), have been synthesized using the tridentate reduced Schiff-base ligand HL (2-[(2-dimethylamino-ethylamino)-methyl]-phenol). The complexes have been characterized by X-ray structural analyses and variable-temperature magnetic susceptibility measurements. In both complexes the basic trinuclear angular units are joined together by weak chloro bridges to form a 1D chain. The trinuclear structure of 1 is composed of two terminal square planar [Cu(L)(mu(1,1)-N(3))] units connected by a central Cu(II) atom through bridging nitrogen atoms of end…

Models MolecularSchiff baseLigandStereochemistrychemistry.chemical_elementCrystallography X-RayLigandsChlorideMagnetic susceptibilityCopperInorganic Chemistrychemistry.chemical_compoundTrigonal bipyramidal molecular geometryCrystallographyMagneticschemistryAtommedicineHydrocarbons ChlorinatedOrganometallic CompoundsPhysical and Theoretical ChemistryCopperSchiff Basesmedicine.drugGroup 2 organometallic chemistryInorganic chemistry
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Thermal and electrochemically assisted Pd-Cl bond cleavage in the d9-d9 Pd2dppm2Cl2 complex by Pd3 dppm3COn+ clusters (n = 2, 1, 0).

2007

A new aspect of reactivity of the cluster [Pd3(dppm)3(micro3-CO)]n+, ([Pd3]n+, n = 2, 1, 0) with the low-valent metal-metal-bonded Pd2(dppm)2Cl2 dimer (Pd2Cl2) was observed using electrochemical techniques. The direct reaction between [Pd3]2+ and Pd2Cl2 in THF at room temperature leads to the known [Pd3(dppm)3(micro3-CO)(Cl)]+ ([Pd3(Cl)]+) adduct and the monocationic species Pd2(dppm)2Cl+ (very likely as Pd2(dppm)2(Cl)(THF)+, [Pd2Cl]+) as unambiguously demonstrated by UV-vis and 31P NMR spectroscopy. In this case, [Pd3]2+ acts as a strong Lewis acid toward the labile Cl- ion, which weakly dissociates from Pd2Cl2 (i.e., dissociative mechanism). Host-guest interactions between [Pd3]2+ and Pd2…

Models MolecularStereochemistryDimer[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistryElectrochemistry01 natural sciencesMedicinal chemistryDissociation (chemistry)AdductIonInorganic Chemistrychemistry.chemical_compoundOrganophosphorus CompoundsElectrochemistryOrganometallic CompoundsMoleculeComputer SimulationLewis acids and basesPhysical and Theoretical ChemistryBond cleavageComputingMilieux_MISCELLANEOUSMolecular Structure010405 organic chemistryTemperature[ CHIM.INOR ] Chemical Sciences/Inorganic chemistry0104 chemical scienceschemistryChlorinePalladiumInorganic chemistry
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Rare Example of μ-Nitrito-1κ2O,O′:2κO Coordinating Mode in Copper(II) Nitrite Complexes with Monoanionic Tridentate Schiff Base Ligands: Structure, M…

2008

Three new copper(II) complexes, [CuL(1)(NO(2))](n) (1), [CuL(2)(NO(2))] (2), and [CuL(3)(NO(2))] (3), with three similar tridentate Schiff base ligands [HL(1) = 6-amino-3-methyl-1-phenyl-4-azahept-2-en-1-one, HL(2) = 6-amino-3-methyl-1-phenyl-4-azahex-2-en-1-one, and HL(3) = 6-diethylamino-3-methyl-1-phenyl-4-azahex-2-en-1-one] have been synthesized and characterized structurally and magnetically. In all three complexes, the tridentate Schiff base ligand and one oxygen atom of the nitrite ion constitute the equatorial plane around Cu(II), whereas the second oxygen atom of the nitrite ligand coordinates to one of the axial positions. In 1, this axially coordinated oxygen atom of the nitrite …

Models MolecularStereochemistryMolecular Conformationchemistry.chemical_elementCrystallography X-RayLigandsElectrochemistryIonInorganic ChemistryMagneticschemistry.chemical_compoundElectrochemistryPhysical and Theoretical ChemistryNitriteNitritesSchiff BasesSchiff baseLigandIntermolecular forceNitro CompoundsCopperOxygenCrystallographyMonomerchemistryThermodynamicsCopperInorganic Chemistry
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Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α- chloroimines

2014

Mannich-type reactions of O-Boc glycolic esters across chiral N-sulfinyl-α-chloroaldimines resulted in the efficient and syn-stereoselective synthesis of new γ-chloro-α-hydroxy-β-amino esters (dr > 99:1). The α-coordinating ability of the chlorine atom was of great importance for the diastereoselectivity of the Mannich-type reaction and overruled the chelation of the sulfinyl oxygen with the lithium ion of the incoming E-enolate in the transition state model. These novel chloroisothreonine derivatives proved to be excellent building blocks in asymmetric synthesis of novel syn-β,γ-aziridino-α-hydroxy esters and biologically relevant trans-oxazolidinone carboxylic esters.

Models MolecularThreonineState modelStereochemistryOrganic ChemistryChlorine atomEnantioselective synthesischemistry.chemical_elementEstersStereoisomerismCrystallography X-RayBiochemistryOxygenMannich BaseschemistryHydrocarbons ChlorinatedSide chainLithiumStereoselectivityChelationIminesPhysical and Theoretical Chemistryta116Organic and Biomolecular Chemistry
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Recent Advances in Enantioselective Desymmetrizations of Prochiral Oxetanes

2021

Abstract Strain relief of oxetanes offers a plethora of opportunities for the synthesis of chiral alcohols and ethers. In this context, enantioselective desymmetrization has been identified as a powerful tool to construct molecular complexity and this has led to the development of elegant strategies on the basis of transition metal, Lewis acid, and Brønsted acid catalysis. This review highlights recent examples that harness the inherent reactivity of prochiral oxetanes and offers an outlook on the immense possibilities for synthetic application.

Molecular complexity010405 organic chemistryChemistryOrganic Chemistryoxetaneoxygen heterocyclesEnantioselective synthesisMinireviewsContext (language use)General ChemistryStrain relief010402 general chemistry01 natural sciencesCombinatorial chemistryDesymmetrizationCatalysis0104 chemical sciencesdesymmetrizationstrained moleculesMinireviewLewis acids and basesAsymmetric SynthesisChemistry – A European Journal
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Toxicological properties of two fluorescent carbon quantum dots with onion ring morphology and their usefulness as bioimaging agents

2016

In the present work, two carbon quantum dots with onion ring morphology, C-NOR and C-NOR(Eu) with an average size of 40 nm differing in the absence or presence of Eu3+ as Lewis acids during their preparation were synthesized and fully characterized by several techniques. These nanoparticles can be internalized into human HeLa and Hep3B carcinoma cells where they exhibit interesting photoluminescent properties, in the same manner as in solution, confirming their utility as bioimaging agents. To address this possibility, a complete in vitro toxicological study has been performed here. Viability, proliferation, apoptosis and oxidative stress assessments upon limited or continuous exposure were…

Morphology (linguistics)General Chemical EngineeringNanoparticleNanotechnology02 engineering and technology010402 general chemistry01 natural sciencesTOXICITYHeLaQUIMICA ORGANICASYSTEMSLewis acids and basesGOLDCELLOXIDATIVE STRESSDRUG-DELIVERYbiologyChemistryGeneral Chemistry021001 nanoscience & nanotechnologybiology.organism_classificationFluorescenceIn vitroMESOPOROUS HYDROXYAPATITE NANOPARTICLES0104 chemical sciencesToxicityDrug deliveryBiophysics0210 nano-technology
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Necesidades de formación del profesorado universitario para la adaptación de su docencia al Espacio Europeo de Educación Superior (EEES)

2011

En este trabajo se presentan los resultados de una investigación llevada a cabo en cinco universidades españolas para diagnosticar las necesidades de formación en competencias del profesorado universitario. Utilizando técnicas de encuesta, aplicadas a una amplia muestra d profesorado de las cinco áreas de conocimiento, se han detectado necesidades de formación en seis bloques de competencias: a) la Planificación de la Docencia;  b) el Desarrollo de la Docencia; c)  la Evaluación;  d) la Tutoría;  e) la Gestión;  f) la Formación Continua.  Se han hallado diferencias significativas en las necesidades en función del área de conocimiento y las categorías profesionales.

Needs assessment competences teacher training competence- bases teaching European Higher Education Area EHEA
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A DFT study of the role of Lewis acid catalysts in the mechanism of the 1,3-dipolar cycloaddition of nitrile imines towards electron-deficient acrylo…

2012

Abstract The role of the Mg complex formation in the reaction rate and regioselectivity of the 1,3-dipolar cycloaddition (13DC) reactions of nitrile imines (NIs) towards electron-deficient methacryloylpyrazolidinones has been theoretically studied using DFT methods at the B3LYP/6-31G * level. These 13DC reactions have an asynchronous concerted mechanism with a low polar character, displaying a high C regioselectivity induced by a steric repulsion between the phenyl substituent present at the C3 carbon of the NIs and the pyrazolidinone appendage present in the methacryloyl derivative, which increases with the formation of the bulky Mg–methacryloylpyrazolidinone complex. Solvent effect has be…

NitrileChemistryConcerted reactionRegioselectivityCondensed Matter PhysicsPhotochemistryBiochemistryPolarizable continuum modelMedicinal chemistryCycloadditionchemistry.chemical_compound13-Dipolar cycloadditionLewis acids and basesPhysical and Theoretical ChemistrySolvent effectsComputational and Theoretical Chemistry
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Limits on entropic uncertainty relations

2010

We consider entropic uncertainty relations for outcomes of the measurements of a quantum state in 3 or more mutually unbiased bases (MUBs), chosen from the standard construction of MUBs in prime dimension. We show that, for any choice of 3 MUBs and at least one choice of a larger number of MUBs, the best possible entropic uncertainty relation can be only marginally better than the one that trivially follows from the relation by Maassen and Uffink for 2 bases.

Nuclear and High Energy PhysicsGeneral Physics and AstronomyStatistical and Nonlinear PhysicsState (functional analysis)Prime (order theory)Theoretical Computer ScienceCombinatoricsComputational Theory and MathematicsDimension (vector space)Entropic uncertaintyNuclear ExperimentMathematical PhysicsMutually unbiased basesMathematicsQuantum Information and Computation
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