Search results for "Phenylene"

showing 10 items of 457 documents

CCDC 777549: Experimental Crystal Structure Determination

2011

Related Article: E.Pardo, J.Ferrando-Soria, M.-C.Dul, R.Lescouezec, Y.Journaux, R.Ruiz-Garcia, J.Cano, M.Julve, F.Lloret, L.Canadillas-Delgado, J.Pasan, C.Ruiz-Perez|2010|Chem.-Eur.J.|16|12838|doi:10.1002/chem.201001737

Space GroupCrystallographytetrakis(Ethyltriphenylphosphonium) bis(mu3-22'-(12-dioxoethane-12-diyl)bis(imino(2-methyl-31-phenylene)imino)bis(oxoacetate))-tri-copper(ii) hydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1518365: Experimental Crystal Structure Determination

2017

Related Article: Soumen Manna, Apurba Bhunia, Soumen Mistri, Julia Vallejo, Ennio Zangrando, Horst Puschmann, Joan Cano, Subal Chandra Manna|2017|Eur.J.Inorg.Chem.||2585|doi:10.1002/ejic.201700046

Space GroupCrystallographytetrakis(mu-2-[([13-dihydroxy-2-(oxidomethyl)propan-2-yl]imino)methyl]-6-methoxyphenolato)-(mu-33'-(14-phenylene)bis(prop-2-enoato))-diaqua-di-cobalt(ii)-di-cobalt(iii) NN-dimethylformamide solvate hydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1833101: Experimental Crystal Structure Determination

2018

Related Article: Francisco Ramón Fortea-Pérez, Mouly Lahcen El Idrissi Moubtassim, Donatella Armentano, Giovanni De Munno, Miguel Julve, Salah-Eddine Stiriba|2018|Inorg.Chem.Front.|5|2148|doi:10.1039/C8QI00498F

Space GroupCrystallographytetrakis(tetra-n-butylammonium) bis(mu-22'-{ethyne-12-diylbis[(41-phenylene)azanediyl]}bis(oxoacetate))-di-palladium methanol solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 831325: Experimental Crystal Structure Determination

2012

Related Article: María Castellano, Francisco R. Fortea-Pérez, Abdeslem Bentama, Salah-Eddine Stiriba, Miguel Julve, Francesc Lloret, Giovanni De Munno, Donatella Armentano, Yangling Li, Rafael Ruiz-García, and Joan Cano|2013|Inorg.Chem.|52|7645|doi:10.1021/ic400754m

Space GroupCrystallographytetrakis(tetrabutylammonium) bis(mu2-22'-(ethyne-12-diylbis(41-phenyleneimino))bis(oxoacetato))-di-copper(ii) diethyl ether methanol solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Self-assembly, metal binding ability, and magnetic properties of dinickel(II) and dicobalt(II) triple mesocates

2012

Two metallacyclic complexes of general formula Na-8[(M2L3)-L-II]center dot xH(2)O [M = Ni (4) and Co (5) with x = 15 (4) and 17 (5)] have been self-assembled in aqueous solution from N,N'-1,3-phenylenebis(oxamic acid) (H4L) and M2+ ions in a ligand/metal molar ratio of 3 : 2 in the presence of NaOH acting as base. X-Ray structural analyses of 4 and 5 show triple-stranded, dinuclear anions of the meso-helicate-type (so-called mesocates) with C-3h molecular symmetry. The two octahedral metal-tris(oxamate) moieties of opposite chiralities (Delta, Lambda form) are connected by three m-phenylene spacers at intermetallic distances of 6.822(2) (4) and 6.868(2) angstrom (5) to give a metallacryptan…

Spin polarizationChemistryInorganic chemistryGeneral ChemistryCrystal structureCondensed Matter PhysicsMagnetic susceptibilityCrystallographyPhenyleneMolecular symmetryAntiferromagnetismMoleculeGeneral Materials ScienceMolecular orbital
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A Hydrogen-Bonded Supramolecular meso-Helix

2003

[EN] A new one-dimensional hydrogen-bonded polymer with a unique meso-helical structure has been prepared from the spontaneous self-assembly in the solid-state of meta-substituted phenylene dioxamic acid diethyl ester monomers. The helical nature of this molecule and its self-complementary character, through intermolecular hydrogen bonding between oxamic acid ester functions, are the two main factors responsible for the crystalline aggregation process, as confirmed by both experimental X-ray crystallographic data and theoretical ab initio calculations.

StereochemistryHydrogen bondOrganic ChemistrySupramolecular chemistryCrystal engineeringCrystal engineeringAmidesHydrogen bondschemistry.chemical_compoundCrystallographyDensity functional calculationsMonomerchemistryAb initio quantum chemistry methodsPhenyleneFISICA APLICADAHelixMoleculePhysical and Theoretical ChemistryHelical structures
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DNA interaction of CuII, NiII and ZnII functionalized salphen complexes: studies by linear dichroism, gel electrophoresis and PCR.

2013

The interaction of salphen-type NiII, CuII and ZnII complexes with native DNA was investigated by exploiting linear dichroism experiments. The NiII complex behaves as a typical intercalator, binding strongly and stiffening and unwinding the DNA. The strength of the DNA interaction is slightly weaker for the copper complex and much weaker for the zinc complex. Plasmid-DNA gel electrophoresis experiments indicated that while CuII and ZnII complexes do not induce the unwinding of supercoiled DNA, the NiII complex has a nuclease activity without the addition of external agents. On the other hand, as shown in the PCR assays, we demonstrate that, at the used concentrations, only the CuII complex …

StereochemistryIntercalation (chemistry)Molecular Conformationchemistry.chemical_elementZincPhenylenediaminesLinear dichroismCrystallography X-RayPolymerase Chain ReactionInorganic Chemistrychemistry.chemical_compoundBiomimetic MaterialsCoordination ComplexesNickelGel electrophoresisElectrophoresis Agar GelNucleaseDeoxyribonucleasesbiologyCircular DichroismDNASettore CHIM/08 - Chimica FarmaceuticaCopperCrystallographyZincAnticancerchemistrySettore CHIM/03 - Chimica Generale E Inorganicabiology.proteinDNA supercoilMetal complexeDNACopperDalton transactions (Cambridge, England : 2003)
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Long-distance magnetic coupling in dinuclear copper(II) complexes with oligo-para-phenylenediamine bridging ligands

2010

Abstract Two novel dinuclear copper(II) complexes of formulae [Cu2(tren)2(bpda)](ClO4)4 (2) and [Cu2(tren)2(tpda)](ClO4)4 (3) containing the tripodal tris(2-aminoethyl)amine (tren) terminal ligand and the 4,4′-biphenylenediamine (bpda) and 4,4″-p-terphenylenediamine (tpda) bridging ligands have been synthesized and structurally, spectroscopically, and magnetically characterized. Their experimentally available electronic spectroscopic and magnetic properties have been reasonably reproduced by DFT and TDDFT calculations. Single crystal X-ray diffraction analysis of 2 shows the presence of dicopper(II) cations where the bpda bridging ligand adopts a bismonodentate coordination mode toward two …

StereochemistryLigandBridging ligandBiphenyleneBPDAMagnetic susceptibilityInorganic Chemistrychemistry.chemical_compoundCrystallographyTrigonal bipyramidal molecular geometryUnpaired electronchemistryPhenyleneMaterials ChemistryPhysical and Theoretical ChemistryInorganica Chimica Acta
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Electronic structure and energy decomposition analyses as a tool to interpret the redox potential ranking of naphtho-, biphenyl- and biphenylenequino…

2016

By calling on modelling approaches we have performed a comparative study on the redox properties of various naphtho-, biphenyl- and biphenylene-quinone isomers. These different compounds exhibit as a whole a redox potential range between 2.09 and 2.90 V vs. Li+/Li. A specific methodology was used to decrypt the interplay among isomerism, aromaticity and antiaromaticity modifications and the stabilization/destabilization effects due to other molecular components on this key electrochemical feature for electrode materials of batteries. In particular, energy decomposition analysis, within the Quantum Theory of Atoms in Molecules, along with the electron and electron spin population changes upo…

StereochemistryPopulationRedox potentialsGeneral Physics and Astronomy02 engineering and technologyElectronic structure010402 general chemistry01 natural sciencesRedoxLihium batteriesDFTModellingBiphenylIsomerschemistry.chemical_compoundComputational chemistryPhysical and Theoretical Chemistryeducationeducation.field_of_studyChemistryBiphenyleneAtoms in moleculesAromaticityBiphenylene021001 nanoscience & nanotechnology0104 chemical sciencesQuinoneQuantum Theory of Atoms in MoleculesNaphtoOrganic electrodes0210 nano-technologyAntiaromaticity
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Heterobimetallic complexes of cobalt(IV) porphyrin-corrole dyads. Synthesis, physicochemical properties, and X-ray structural characterization.

2005

The synthesis of a novel family of heterobinuclear cofacial biphenylene (B), anthracene (A), 9,9-dimethylxanthene (X), or dibenzofuran (O) bridged porphyrin-corrole complexes, (PCY)MClCoCl, is reported, M being either an iron(III) or manganese(III) ion. Each complex was characterized by electrochemistry, mass spectrometry, UV-vis, IR, and electron spin resonance spectroscopy. Unlike previously examined biscobalt porphyrin-corrole dyads, the cobalt ion of the corrole moiety is present in a high-valence +4 oxidation state, as proven by electrochemistry, spectroelectrochemistry, and an X-ray diffraction study of (PCB)FeClCoCl, which shows the presence of a bound Cl- anion on the cobalt corrole…

Stereochemistrychemistry.chemical_elementBiphenyleneTriclinic crystal systemPorphyrinlaw.inventionInorganic Chemistrychemistry.chemical_compoundCrystallographychemistrylawOxidation stateMoietyPhysical and Theoretical ChemistryCorroleElectron paramagnetic resonanceCobaltInorganic chemistry
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