Search results for "Intramolecular force"

showing 10 items of 599 documents

Oligo(2,5-thienyleneethynylene)s with Terminal Donor-Acceptor Substitution

2006

Five oligo(2,5-thienyleneethynylene) series (OTE, n = 1–5), namely the push-pull substituted compounds 1b-5b and 1c-5c, the purely donor substituted compounds 1a-5a and two precursor series with protected and deprotected ethynyl end-groups, respectively, were obtained by a convergent synthetic strategy. The extension of the conjugated chromophores in the donor-acceptor OTE (DAOTE) series is superimposed by an intramolecular charge transfer (ICT), which decreases with an increasing number, n, of repeat units. The overall effect is studied by the convergence of the UV/Vis absorption maxima λmax (n) → λ∞ for n → ∞.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

StereochemistryChemistryIntramolecular forceOrganic ChemistryPhysical and Theoretical ChemistryChromophoreAbsorption (chemistry)Conjugated systemDonor acceptorEuropean Journal of Organic Chemistry
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Nucleophilic attack within Ge, Sn and Pb complexes containing Me2N(CH2)(3) - as a potential intramolecular donor ligand

1998

Abstract Thirteen tin compounds LxPhySnClz and LPh2SnPhX (x=1–4, y=0–3, z=0–2, XPh, F, Cl, Br, I, OPh), six germanium compounds LxPhyGeClz and four lead compounds LPh2PbPhX (XPh, Cl, Br, I) containing the potential intramolecular donor LMe2N(CH2)3—have been synthesized by Grignard reactions, redistribution, halogenation, exchange of halide and phenylation. Evidence for 1,5-chelation in which the donor Me2N intramolecularly attacks the Lewis-acidic atoms Ge, Sn or Pb is provided by six crystal structure determinations: Me2N(CH2)3SnPh2Cl, 5; Me2N(CH2)3SnPh2Br, 5a; Me2N(CH2)3SnPh2I, 5b; Me2N(CH2)3SnPh2OPh, 5d; Me2N(CH2)3SnPh3·HCl·H2O. 1a; Me2N(CH2)3PbPh2I, 17b), and by solution 13C, 119Sn a…

StereochemistryChemistryLigandChemical shiftHalogenationNuclear magnetic resonance spectroscopyCrystal structureInorganic ChemistryElectronegativityCrystallographyNucleophileIntramolecular forceMaterials ChemistryPhysical and Theoretical Chemistry
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A heteropentanuclear oxalato-bridged [ReIV 4GdIII] complex: synthesis, crystal structure and magnetic properties

2012

The compound (NBu 4) 5[Gd III{Re IVBr 4(μ-ox)} 4(H 2O)]·H 2O (1), with intramolecular antiferromagnetic coupling, is the first Re(iv) system incorporating a 4f ion. © 2012 The Royal Society of Chemistry.

StereochemistryChemistryMetals and AlloysGeneral ChemistryCrystal structureCatalysisAntiferromagnetic couplingSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIonCrystallographyIntramolecular forceMaterials ChemistryCeramics and Composites
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Iron(III), chromium(III) and cobalt(II) complexes with squarate: Synthesis, crystal structure and magnetic properties

2011

The preparation and variable temperature-magnetic investigation of three squarate-containing complexes of formula [Fe 2 (OH) 2 (C 4 O 4 ) 2 (H 2 O) 4 ]·2H 2 O ( 1 ) [Cr 2 (OH) 2 (C 4 O 4 ) 2 (H 2 O) 4 ]·2H 2 O ( 2 ) and [Co(C 4 O 4 )(H 2 O) 4 ] n ( 3 ) [H 2 C 4 O 4  = 3.4-dihydroxycyclobutene-1,2-dione (squaric acid)] together with the crystal structures of 1 and 3 are reported. Complex 1 contains discrete centrosymmetric [Fe 2 (OH) 2 (C 4 O 4 ) 2 (H 2 O) 4 ] diiron(II) units where the iron pairs are joined by a di-μ-hydroxo bridge and two squarate ligands acting as bridging groups through adjacent oxygen atoms. Two coordinated water molecules in cis position complete the octahedral environ…

StereochemistryChemistrychemistry.chemical_elementCrystal structureSquaric acidInorganic ChemistryCrystallographychemistry.chemical_compoundOctahedronIntramolecular forceMaterials ChemistryAntiferromagnetismMoleculePhysical and Theoretical ChemistryIsostructuralCobaltInorganica Chimica Acta
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Synthesis, structural and magnetic characterizations of new complexes of di-2,6-(2-pyridylcarbonyl)pyridine (pyCOpyCOpy) ligand

2013

International audience; Using the di-2,6-(2-pyridylcarbonyl)pyridine ligand (L1) as starting framework, five new mononuclear complexes were obtained: [Cu(L1)(MeCN)(ClO4)2] (1) [Co(L1)(MeCN)(Br)2]*MeCN (2), [Fe(L1)2](BF4)2*MeOH*H2O (3), [Cr(L2a)Cl2]*2MeOH (where HL2a is (6-(hydroxyl(methoxy)(pyridin-2-yl)methyl)pyridin-2-yl)(pyridin-2-yl)methanone) (4) and one trinuclear [NiII3] complex, [Ni3(L2b)2(Bz)2(EtOH)2](ClO4)2*2EtOH (where HL2b is (6-(hydroxyl(ethoxy)(pyridin-2-yl)methyl)pyridin-2-yl)(pyridin-2-yl)methanone; Bz = benzoato) (5). Their structural and magnetic characterizations are herein reported. All the metal ions show octahedral coordination geometry, which is slightly unusual for t…

StereochemistryCrystal structure010402 general chemistry01 natural sciencesMedicinal chemistryCoordination complexInorganic Chemistrychemistry.chemical_compoundDeprotonationMagnetic propertiesPyridineMaterials ChemistryPhysical and Theoretical ChemistryCoordination geometrychemistry.chemical_classification010405 organic chemistryChemistryLigand[CHIM.MATE]Chemical Sciences/Material chemistry0104 chemical sciences3. Good healthMetal-assisted solvent additionIntramolecular forceCrystal structuresAlkoxy groupCoordination compoundsPolyhedron
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Intramolecular ferro- and antiferromagnetic interactions in oxo-carboxylate bridged digadolinium(iii) complexes

2010

Two new digadolinium(III) complexes with monocarboxylate ligands, [Gd2(pac)6(H2O)4] (1) and [Gd2(tpac)6(H2O)4] (2) (Hpac = pentanoic acid and Htpac = 3-thiopheneacetic acid), have been prepared and their structures determined by X-ray diffraction on single crystals. Their structures consist of neutral and isolated digadolinium(III) units, containing six monocarboxylate ligands and four coordinated water molecules, the bridging skeleton being built by a muO(1):kappa2O(1)O(2) framework. This structural pattern has already been observed in the parent acetate-containing compound [Gd2(ac)6(H2O)4] x 4 H2O (3) whose structure and magnetic properties were reported elsewhere (L. Cañadillas-Delgado, …

StereochemistryGadoliniumchemistry.chemical_elementAtmospheric temperature rangeMagnetic susceptibilitySquare antiprismInorganic ChemistryCrystallographychemistry.chemical_compoundchemistryIntramolecular forceAntiferromagnetismMoleculeCarboxylateDalton Transactions
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Dinuclear and two- and three-dimensional gadolinium(III) complexes with mono- and dicarboxylate ligands: synthesis, structure and magnetic properties

2009

Three new gadolinium(III) complexes with carboxylate ligands of formula [Gd2(ac)6(H2O)4]·2H2O (1), [Gd2(ac)2(fum)2(H2O)4]n (2) and [Gd2(ox)(fum)2(H2O)4]n·4nH2O (3) (ac = acetate, fum = fumarate and ox = oxalate) have been prepared and their structures determined by X-ray diffraction on single crystals. The structure of 1 is made up of discrete centrosymmetric di-µ-oxo(carboxylate acetate)digadolinium(III) units with an intramolecular Gd⋯Gd separation of 4.1589(3) A. Each gadolinium atom in 1 is nine-coordinated with two water molecules and seven carboxylate-oxygen atoms from four acetate ligands building a monocapped square antiprism environment. Compound 2 exhibits a sheet-like structure, …

StereochemistryGadoliniumchemistry.chemical_elementGeneral ChemistryCondensed Matter PhysicsMagnetic susceptibilityOxalateSquare antiprismchemistry.chemical_compoundCrystallographychemistryIntramolecular forceAntiferromagnetismMoleculeGeneral Materials ScienceCarboxylateCrystEngComm
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Multitasking Water-Soluble Synthetic G-Quartets: From Preferential RNA-Quadruplex Interaction to Biocatalytic Activity

2013

Natural G-quartets, a cyclic and coplanar array of four guanine res- idues held together through a Watson- Crick/Hoogsteen hydrogen-bond net- work, have received recently much at- tention due to their involvement in G- quadruplex DNA, an alternative higher-order DNA structure strongly suspected to play important roles in key cellular events. Besides this, syn- thetic G-quartets (SQ), which artificial- ly mimic native G-quartets, have also been widely studied for their involve- ment in nanotechnological applications (i.e., nanowires, artificial ion channels, etc.). In contrast, intramolecular syn- thetic G-quartets (iSQ), also named template-assembled synthetic G-quar- tets (TASQ), have been…

StereochemistryGuanineSupramolecular chemistryDeoxyribozyme010402 general chemistryG-QuartetsG-quadruplex01 natural sciencesCatalysischemistry.chemical_compound[CHIM]Chemical SciencesComputingMilieux_MISCELLANEOUS010405 organic chemistryOrganic ChemistryWaterRNADNAGeneral Chemistry0104 chemical sciencesG-QuadruplexeschemistryIntramolecular forceBiocatalysisHeminRNAOxidation-ReductionDNA
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Folding Patterns in a Family of Oligoamide Foldamers

2015

A series of small, unsymmetrical pyridine-2,6-dicarboxylamide oligoamide foldamers with varying lengths and substituents at the end groups were synthetized to study their conformational properties and folding patterns. The @-type folding pattern resembled the oxyanion-hole motifs of enzymes, but several alternative folding patterns could also be characterized. Computational studies revealed several alternative conformers of nearly equal stability. These folding patterns differed from each other in their intramolecular hydrogen-bonding patterns and aryl-aryl interactions. In the solid state, the foldamers adopted either the globular @-type fold or the more extended S-type conformers, which w…

StereochemistryHydrogen bondChemistryOrganic Chemistrycrystal growthSolid-stateFoldamerGeneral ChemistryCatalysisoligomerizationCrystallographyLiquid stateIntramolecular forceprotein foldinghydrogen bondsMoleculeProtein foldingfoldamersConformational isomerismta116Chemistry: A European Journal
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Intramolecular versus intermolecular exchange pathways in the binuclear complex [Cu2(H2tea)2(4,4′-bipy)](ClO4)2·3H2O (H3tea=triethanolamine and 4,4′-…

2001

Abstract The binuclear copper(II) complex of formula [Cu2(H2tea)2(4,4′-bipy)](ClO4)2·3H2O (1) (H3tea=triethanolamine and 4,4′-bipy=4,4′-bipyridine) has been isolated and characterized by X-ray diffraction. Its structure consists of dinuclear [Cu2(H2tea)2(4,4′-bipy)]2+ cations, uncoordinated perchlorate anions and crystallization water molecules. Each copper atom exhibits a trigonal-bipyramidal environment with the three triethanolamine-oxygen atoms building the equatorial plane, and the triethanolamine-nitrogen and one of the 4,4′-bipy nitrogen atoms defining the three-fold axis. The 4,4′-bipy molecule acts as a bismonodentate bridging ligand, the copper–copper separation across it being 11…

StereochemistryIntermolecular forceBridging ligandCrystal structure44'-BipyridineInorganic ChemistryPerchloratechemistry.chemical_compoundCrystallographychemistryTriethanolamineIntramolecular forceMaterials ChemistrymedicineMoleculePhysical and Theoretical Chemistrymedicine.drugPolyhedron
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