Search results for "MOLECULE"

showing 10 items of 5162 documents

Insertion of One, Two, and Three Molecules of Alkyne into the Pd−C Bond of Ortho-palladated Primary and Secondary Arylalkylamines

2009

The ortho-metalated complex [Pd2{κ2(C,N)-C6H4CH2CH2NHMe-2}2(μ-Br)2] (1) can be prepared by refluxing a 1:1 mixture of Pd(OAc)2 and N-methylphenethylamine in acetonitrile, followed by addition of an excess of NaBr. Complex 1 reacts with PPh3 to give the mononuclear derivative [Pd{κ2(C,N)-C6H4CH2CH2NHMe-2}Br(PPh3)] (2). The cationic complex [Pd{κ2(C,N)-C6H4CH2CH2NHMe-2}(py)2]ClO4 (3) can be obtained by reacting 1 with AgClO4 and pyridine. The previously reported complex [Pd2{κ2(C,N)-C6H4CH2NHCH2Ph-2}2(μ-Br)2] (A) reacts with PhC≡CCO2R (R = Me, Et) to give the monoinserted derivatives [Pd2{κ2(C,N)-C(Ph)═C(CO2R)C6H4CH2NHCH2Ph-2}2(μ-Br)2] (R = Me (4a), Et (4b)). These dimers react with neutral l…

chemistry.chemical_classificationStereochemistryOrganic ChemistryCationic polymerizationAlkyneMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundMonomerchemistryMolar ratioPyridineMoleculePhysical and Theoretical ChemistryAcetonitrileOrganometallics
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Crystal and molecular structure of the tris(1,10-phenanthroline)potassium salt of μ-hydridobis[pentacarbonylchromium(0)]

1984

Abstract The crystal and molecular structure of [K(phen)3][Cr2(CO)10(μ-H)] has been determined by X-ray diffraction. The compound crystallizes in the space group P 1 with a 11.884(4), b 13.968(4), c 15.612(6) A, α 112.6(1), β 99.7(1) and γ 106.2(1)° and Z = 2. The structure was refined to R = 0.066 and RW = 0.067 for 3692 counter data with I ⩾ 3σ(I). The complex anion [Cr2(CO)10(μ-H)] adopts a bent Cr-H-Cr configuration with the equatorial carbonyl groups of the two independent Cr(CO)5 moieties in an eclipsed configuration. The Cr⋯Cr distance is 3.394(3) A and the two CrH bonds are 1.74(7) and 1.71(7) A. The CrHCr bond angle is 159(3)°. In the dimeric complex cation [K(phen)3]2, located …

chemistry.chemical_classificationStereochemistryPhenanthrolineOrganic ChemistryBent molecular geometryCrystal structureBiochemistryInorganic ChemistryCrystalCrystallographychemistry.chemical_compoundMolecular geometrychemistryX-ray crystallographyMaterials ChemistryMoleculePhysical and Theoretical ChemistryInorganic compoundJournal of Organometallic Chemistry
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Copper(ii) and Zn(ii) coordination chemistry of tetraaza[n]cyclophanes

2003

The acid–base behaviour and Zn2+ and Cu2+ metal coordination chemistry of the novel orthocyclophane ligands 2,5,8,11-tetraaza[12]orthocyclophane (L2) and 2,5,9,12-tetraaza[13]orthocyclophane (L3) and metacyclophane 2,5,8,11-tetraaza[12]metacylophane (L1) are studied. Important differences in the chemistry of these compounds are found depending on the substitution of the aromatic ring. The ortho derivatives are much more basic in their first two protonation steps while the metacyclophane presents much larger constants in the third and fourth protonation stages. The crystal structure of the picrate salt of [H2L3]2+ shows an alternate disposition of the protons in the molecule with formation o…

chemistry.chemical_classificationStereochemistryPicrateProtonationGeneral ChemistryCrystal structureRing (chemistry)CatalysisSquare pyramidal molecular geometryCoordination complexchemistry.chemical_compoundCrystallographychemistryMaterials ChemistryMoleculeCoordination geometryNew J. Chem.
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Alcoholysis of Aluminum Alkyls Supported by Bulky Phenoxide Ligands: Synthesis, Characterization, and ε-Caprolactone Polymerization Activity of Two D…

2000

Reaction of trialkylaluminum Al2R6 (R = Me, Et) with 2,2′-methylenebis(6-tert-butyl-4-methylphenol) (mbmpH2) gives the dimeric mono(alkyl) complex [Al(mbmp)R]2 with bridging oxygen atoms. Reaction of [Al(mbmp)R]2 with one equiv. of 2-propanol results in the formation of the dimeric isopropoxide [Al(mbmp)(μ-OiPr)]2. Single-crystal X-ray analysis shows a C2h-symmetric structure with a planar Al2O2 core. Monomeric methylbis(2,6-di-tert-butyl-4-methylphenolato)aluminum, AlMe(OC6H2-2,6-tBu2-4-Me)2 (MAD), was found to react with one equiv. of 2-propanol to give a dimeric isopropoxide [AlMe(OC6H2-2,6-tBu2-4-Me)(μ-OiPr)]2 in which the bulky phenolate, instead of the methyl group, has been displaced…

chemistry.chemical_classificationStereochemistryPolymerMedicinal chemistryTolueneInorganic Chemistrychemistry.chemical_compoundMonomerchemistryPolymerizationMoleculeAlkylLactoneMethyl groupEuropean Journal of Inorganic Chemistry
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Monolayers of Bolaform Amphiphiles: Influence of Alkyl Chain Length and Counterions

1994

We have prepared self-assembled monolayers of novel cationic bolaform amphiphiles on negatively charged substrates. Most of these amphiphiles form smooth, defect-free monolayers which can be used to reverse the substrate surface charge and thus allow subsequent adsorption of anionic molecules and construction of multilayers. Atomic force microscopy, surface force measurement, and surface plasmon spectroscopy were combined to probe the molecular orientation and ordering, mechanical properties, and surface electrical properties of the monolayers. In addition, the amphiphile aggregation behavior at an air-water interface was studied by surface tension measurement, and lyotropic phase behavior …

chemistry.chemical_classificationStereochemistrySurface forceSurfaces and InterfacesCondensed Matter PhysicsSurface tensionchemistryChemical physicsAmphiphileLyotropicMonolayerElectrochemistryMoleculeGeneral Materials ScienceSurface chargeSpectroscopyAlkylLangmuir
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Synthesis of ruthenium(II) compounds with ortho-oxypyridinate ligands (hp). Crystal structure characterization of [Ru(η6-p-CH3C6H4CH(CH3)2)Cl(hp)]

1988

Abstract The reaction of [Ru(η6-p-cymene)Cl2]2 (p-cymene = p-CH3C6H4CH(CH3)2) with Nahp in THF yields [Ru(η6]-p-cymene)Cl(hp)] (1). The crystal structure of (1) has been determined by X-ray methods. (1) crystallizes in the space group Pbca, with a = 16.629(2), b = 10.201(3), c = 17.752(2) A. The compound contains one coordinated arene group, one chlorine and one hp group in a chelating coordination mode. The reaction of (1) with Aghp yields [Ru(η6-p-cymene)(hp)2] (2). The 13C NMR spectrum at - 70°C is consistent with a structure Ru(η6-p-cymene)(η2-hp)(η1-hp). At room temperature a rapid interconvertion between the two hp ligands occurs according to the observed 1H and 13C NMR spectra.

chemistry.chemical_classificationStereochemistrychemistry.chemical_elementCrystal structureNuclear magnetic resonance spectroscopyCarbon-13 NMRRutheniumInorganic ChemistryCrystallographychemistryX-ray crystallographyMaterials ChemistryMoleculeChelationPhysical and Theoretical ChemistryInorganic compoundPolyhedron
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Efficient Self-Assembly of Di-, Tri-, Tetra-, and Hexavalent Hosts with Predefined Geometries for the Investigation of Multivalency

2015

Coordination-driven self-assembly of differently shaped di- to hexavalent crown-ether host molecules is described. A series of [21]crown-7- and [24]crown-8-substituted bipyridine and terpyridine ligands was synthetized in a "toolbox" approach. Subsequent coordination to 3d transition metal and ruthenium(II) ions provides an easy and fast access to host assemblies with variable valency and pre-defined orientations of the crown-ether moieties. Preliminary isothermal calorimetry (ITC) titrations provided promising results, which indicated the host complexes under study to be suitable for the future investigation of multivalent and cooperative binding. The hosts described herein will also be su…

chemistry.chemical_classificationStereochemistrycrown ethersOrganic ChemistrySupramolecular chemistrychemistry.chemical_elementIsothermal titration calorimetryGeneral ChemistrymultivalencyCombinatorial chemistrysupramolecular chemistryCatalysisRutheniumCoordination complexBipyridinechemistry.chemical_compoundstomatognathic systemchemistrycoordination chemistryMoleculeSelf-assemblyTerpyridineta116pseudorotaxanesChemistry - A European Journal
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Impact of Molecular Size and Shape on the Supramolecular Co‐Assembly of Chiral Tricarboxamides: A Comparative Study

2020

We report herein a comparative investigation of the chiral amplification features of a series of three families of C 3 -symmetric tricarboxamides: 1,3,5-triphenylbenzenetricarboxamides (TPBAs), benzenetricarboxamides (BTAs) and oligo(phenylene ethynylene) tricarboxamides (OPE-TAs). As previously observed for BTAs and OPE-TAs, a similar dichroic response is obtained for TPBAs decorated with three, two or only one chiral side chain bearing stereogenic centers, thus confirming the efficient transfer of point chirality to the supramolecular helical aggregates. Unlike BTAs and OPE-TAs, the chiral amplification ability of TPBAs in majority rules experiments shows a negligible dependence on the nu…

chemistry.chemical_classificationSteric effects010405 organic chemistryChemistryOrganic ChemistrySupramolecular chemistryGeneral Chemistry010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesStereocenterSupramolecular polymersCrystallographyPhenyleneSide chainMoleculeChirality (chemistry)Chemistry – A European Journal
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Reaktionen von Benzothiet mit Iminen

1993

Reactions of Benzothiete with Imines A great variety of compounds 3a–w containing CN double bonds was studied in the reaction with benzothiete (1). H, alkyl, aryl, OR, SR and NR groups can be attached to the imino function. The azomethines 3a–f, the thiazolines 3g–i, the lactim 3n, the oximes 3r–t, the isoxazolinone 3u and the azine 3v show [8π + 2π] cycloaddition reactions yielding derivatives of 1,3-benzothiazine (4a–i, n, r–v). In the case of 4n, s, t secondary reactions occur, initiated by elimination processes. [8π + 2π] Cycloadditions account also for the reactions 3e 10, 11, 3o 18(I), and 3q 19; however, CC double bonds are representing the 2π component in these examples. The thiazol…

chemistry.chemical_classificationSteric effectsBicyclic moleculeDouble bondChemistryStereochemistryThiazolineOrganic ChemistryHydrazoneTautomerMedicinal chemistryCycloadditionAzinechemistry.chemical_compoundPhysical and Theoretical ChemistryLiebigs Annalen der Chemie
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Aluminum complexes of sterically hindered tetradentate Schiff bases: Synthesis, structure, and reactivity toward ɛ-caprolactone

1997

Abstract The sterically hindered Schiff bases tbmSalenH2 [tbmSalen = N,N′-1,2-ethylenebis(3-tert-butyl-5-methylsalicylideneimine)] and tbmSalcenH2 [tbmSalcen = N,N′-trans-1,2-cyclohexanediyl-bis(3-tert-butyl-5-methylsalicylideneimine)] afforded a series of aluminum complexes of the general formulae [Al(tbmSalen)X] and [Al(tbmSalcen)X] (X = Cl, Me, Et). The molecular structure of [Al(tbmSalcen)Cl] was determined by single-crystal X-ray structural analysis which revealed a five-coordinate aluminum center with a distorted square pyramidal geometry. The alkyl complexes were found to oligomerize ɛ-caprolactone.

chemistry.chemical_classificationSteric effectsSchiff baseStereochemistryOrganic Chemistryɛ caprolactonechemistry.chemical_elementBiochemistrySquare pyramidal molecular geometryInorganic ChemistryCrystallographychemistry.chemical_compoundchemistryAluminiumMaterials ChemistryMoleculeReactivity (chemistry)Physical and Theoretical ChemistryAlkylJournal of Organometallic Chemistry
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