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showing 10 items of 801 documents

Spin Transitions in Iron(II) Complexes

1996

Iron(II) has the 3d6 outer electronic configuration and hence its octahedral complexes may be either high-spin or low-spin. The high-spin configuration, t 2g 4 e g 2 , is adopted when relatively weak-field ligands are coordinated while the low-spin, t 2g 6 e g 0 , is obtained when strong-field ligands are involved. In Oh symmetry the ground states are 5T2g and lA1g, for the high-spin and low-spin configurations, respectively. While in most iron(II) six-coordinate complexes the symmetry is lower than Oh, these designations are generally adopted in the following sections for convenience. [Fe(H2O)6]2+ and [Fe(en)3]2+ (en = ethylenediamine) are typical examples of high-spin complexes, while [Fe…

CrystallographySpin statesUnpaired electronAtomic orbitalSpin crossoverChemistryAtomSpin transitionOrganic chemistryElectron configurationAntibonding molecular orbital
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Mixed-Valence, Mixed-Spin-State, and Heterometallic [2×2] Grid-type Arrays Based on Heteroditopic Hydrazone Ligands: Synthesis and Electrochemical Fe…

2005

Une famille de complexes heterometalliques [M 1 2 M 2 2 (L - ) 4 ] n + du type grille [2×2] 1-9 a ete preparee. Les trois approches synthetiques multietapes des ligands hydrazone heteroditopiques A-C possedent chacune des caracteristiques regio-, redox-, enantio-selectives. Ces ligands possedent un groupement NH ionisable et un groupement hydrazone non-ionisable NMe, qui permettent un controle des proprietes redox du metal complexe en fonction de la charge de la cavite coordinante. Les substituants 2-pyrimidine (R) et 6-pyridine (R') influencent de maniere significative la geometrie des complexes formes ainsi que leurs proprietes electrochimiques et magnetiques. Les etudes par spectroscopie…

CrystallographyValence (chemistry)Spin statesStereochemistrySpin crossoverChemistryOrganic ChemistryHydrazone ligandGeneral ChemistryElectrochemistryCatalysisChemistry - A European Journal
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New polynuclear 4,4ˈ-bis-1,2,4-triazole Fe(II) spin crossover compounds

2001

L'interet porte aux materiaux moleculaires du Fe(II) presentant une transition entre un etat haut-spin (HS, S = 2) et un etat bas-spin (LS, S = 0), sous l'effet d'une variation de temperature, de pression ou d'une irradiation lumineuse, n'a cesse de croitre au cours de ces dix dernieres annees [1-4]. La famille des composes du Fe(II) a base de derives du 1,2,4-triazole substitues par un groupe R sur l'azote 4 a ete tres etudiee pour ses proprietes de transition de spin (TS), qui pourraient permettre des applications en electronique moleculaire [5-15, 29, 32, 36, 37]. Nous avons recemment presente le premier compose a TS possedant une structure tridimensionnelle (figure 2). Ce compose de for…

Crystallographychemistry.chemical_compoundChemistryStereochemistrySpin crossoverTriazole derivatives124-TriazoleGeneral ChemistryComptes Rendus de l'Académie des Sciences - Series IIC - Chemistry
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Spin-Crossover and Liquid Crystal Properties in 2D Cyanide-Bridged FeII−MI/II Metalorganic Frameworks

2010

Novel two-dimensional heterometallic Fe(II)-M(Ni(II), Pd(II), Pt(II), Ag(I), and Au(I)) cyanide-bridged metalorganic frameworks exhibiting spin-crossover and liquid crystal properties, formulated as {FeL(2)[M(I/II)(CN)(x)](y)}·sH(2)O, where L are the ligands 4-(4-alkoxyphenyl)pyridine, 4-(3,4-dialkoxyphenyl)pyridine, and 4-(3,4,5-trisalkoxyphenyl)pyridine, have been synthesized and characterized. The physical characterization has been carried out by means of EXAFS, X-ray powder diffraction, magnetic susceptibility, differential scanning measurements, and Mössbauer spectroscopy. The 2D Fe(II) metallomesogens undergo incomplete and continuous thermally induced spin transition at T(1/2) ≈ 170 …

CyanidesMolecular StructureExtended X-ray absorption fine structure010405 organic chemistrySpin transitionStereoisomerismLigands010402 general chemistry01 natural sciencesMagnetic susceptibilityLiquid Crystals0104 chemical sciences3. Good healthInorganic ChemistryCrystallographychemistry.chemical_compoundchemistryLiquid crystalSpin crossoverMetals HeavyMössbauer spectroscopyPyridineOrganometallic CompoundsPhysical and Theoretical ChemistryPowder diffractionInorganic Chemistry
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Thermal-,Pressure-, and Light-Induced Spin Transition in Novel Cyanide-Bridged FeII-AgI Bimetallic Compounds with Three-Dimensional Interpenetrating …

2002

[EN] Low-spin, high-spin and spin-transition behaviours have been observed for the doubly interpenetrating three-dimensional bimetallic compounds {Fe-II(pz)[Ag(CN)(2)](2)}.pz (pz= pyrazine), {Fe-II(4,4'-bipy)(2)[Ag(CN)(2)](2)} (4,4'-bipy-4,4'-bipyridine), and {Fe-II-(bpe)(2)[Ag(CN)(2)](2)} (bpe = bispyridylethylene), respectively. The single crystals of the bpe derivative undergo a spin transition with a large hysteresis loop at about 95 K. After several warming and cooling cycles, the single crystals become a microcrystalline powder with 50% spin transition. Influence of pressure- as well as light-induced excited spin-state trapping (LIESST) on the thermal 50% spin transition of the microc…

CyanidesSpin statesPyrazineChemistryIronOrganic ChemistrySpin transitionGeneral ChemistrySpin crossoverCooperative phenomenaInterpenetrating 3D structuresCatalysisLIESSTCrystallographychemistry.chemical_compoundBipyridineNuclear magnetic resonanceMicrocrystallineSpin crossoverFISICA APLICADABimetallic strip
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Photoinduced HS state in the first spin-crossover chain containing a cyanocarbanion as bridging ligand

2009

A new polymeric approach, based on cyanocarbanion ligands, for the design of spin crossover (SCO) compounds led us to the compound [Fe(abpt)2(tcpd)] (1) (tcpd^2 = (C[C(CN)2|3)^2 , abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole) which has been characterised as the first SCO molecular chain involving a cyanocarbanion as bridging ligand. Gomez Garcia, Carlos Jose, Carlos.Gomez@uv.es

Cyanocarbanion ligandsChemistryStereochemistryUNESCO::QUÍMICAPolimeryc approachMetals and AlloysBridging ligandBridging ligandGeneral ChemistryState (functional analysis)UNESCO::QUÍMICA::Química macromolecular:QUÍMICA [UNESCO]CatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsChain (algebraic topology)Polimeryc approach ; Cyanocarbanion ligands ; Photoinduction ; Bridging ligandSpin crossoverPhotoinductionMaterials ChemistryCeramics and Composites:QUÍMICA::Química macromolecular [UNESCO]
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Iron(II) metallomesogens based on symmetrical tripod ligands

2012

Abstract Novel mononuclear tripodand-based iron(II) complexes showing liquid crystal properties have been synthesized and characterized. These are based on ligands tris[3-aza-4-((5-Cn)(6-R-2-pyridyl))but-3-enyl]amine, where R = hydrogen or methyl, 1,3,5-cis,cis-tris[1-aza-2-((5-alkyloxy)(2-pyridyl))vinyl]cyclohexane and 2,2,2-tris(2-aza-3-((5-alkyloxy)(2-pyridyl))prop-2-enyl)ethane. The physical characterization has been carried out by means of single-crystal X-ray diffraction measurements, magnetic susceptibility, differential scanning calorimetry, X-ray powder diffraction and Mossbauer spectroscopy.

CyclohexaneChemistryInorganic chemistryTripod (photography)Magnetic susceptibilityInorganic ChemistryCrystallographychemistry.chemical_compoundDifferential scanning calorimetrySpin crossoverMössbauer spectroscopyMaterials ChemistryAmine gas treatingPhysical and Theoretical ChemistryPowder diffractionInorganica Chimica Acta
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Traumatic bone cyst: a retrospective study of 21 cases

2009

Objective: To describe the clinical and radiological characteristics, and surgical findings of traumatic bone cysts. Study Design: A retrospective observational study was made of 21 traumatic bone cysts. The diagnosis was based on the anamnesis, clinical examination, and complementary tests. Panoramic and periapical X-rays were obtained in all cases, together with computed tomography as decided by the surgeon. A descriptive statistical analysis was made of the study variables using the SPSS v12.0 for Windows. Results: There was a clear female predominance (14:7). The mean age was 26.5 years (range 8-45 years). The cysts in all cases constituted casual findings during routine radiological ex…

Cysts (Pathology)BonesMaxil·larsOssosJawsQuistosUNESCO:CIENCIAS MÉDICAS
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Homoleptic iron(II) complexes with the ionogenic ligand 6,6′-Bis(1H-tetrazol-5-yl)-2,2′-bipyridine: spin crossover behavior in a singular 2D spin cro…

2015

Deprotonation of the ionogenic tetradentate ligand 6,6′-bis(1H-tetrazol-5-yl)-2,2′-bipyridine [H2bipy(ttr)2] in the presence of FeII in solution has afforded an anionic mononuclear complex and a neutral two-dimensional coordination polymer formulated as, respectively, NEt3H{Fe[bipy(ttr)2][Hbipy(ttr)2]}·3MeOH (1) and {Fe[bipy(ttr)2]}n (2). The anions [Hbipy(ttr)2]− and [bipy(ttr)2]2– embrace the FeII centers defining discrete molecular units 1 with the FeII ion lying in a distorted bisdisphenoid dodecahedron, a rare example of octacoordination in the coordination environment of this cation. The magnetic behavior of 1 shows that the FeII is high-spin, and its Mössbauer spectrum is characteriz…

DEVICESCoordination polymerStereochemistryPRESSURE010402 general chemistry01 natural sciences22'-BipyridineInorganic ChemistrySINGLE MOLECULESchemistry.chemical_compoundDeprotonationSpin crossoverSYSTEMS[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical ChemistryHomolepticSYNERGYCRYSTAL010405 organic chemistryLigandCOMPOUNDQuadrupole splittingSTATE3. Good health0104 chemical sciencesCrystallographychemistryOctahedronFISICA APLICADAMOSSBAUERPHASE-TRANSITIONS
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A knowledge-based decision support system in bioinformatics: An application to protein complex extraction

2013

Abstract Background We introduce a Knowledge-based Decision Support System (KDSS) in order to face the Protein Complex Extraction issue. Using a Knowledge Base (KB) coding the expertise about the proposed scenario, our KDSS is able to suggest both strategies and tools, according to the features of input dataset. Our system provides a navigable workflow for the current experiment and furthermore it offers support in the configuration and running of every processing component of that workflow. This last feature makes our system a crossover between classical DSS and Workflow Management Systems. Results We briefly present the KDSS' architecture and basic concepts used in the design of the knowl…

Decision support systemSaccharomyces cerevisiae ProteinsComputer scienceKnowledge BasesCrossovercomputer.software_genreBioinformaticslcsh:Computer applications to medicine. Medical informaticsBiochemistryDecision Support TechniquesWorkflowSoftwareknowledge base; decision support systemStructural BiologyArtificial IntelligenceProtein Interaction MappingPreprocessorCluster analysisMolecular Biologylcsh:QH301-705.5Settore ING-INF/05 - Sistemi Di Elaborazione Delle Informazionibusiness.industryApplied MathematicsResearchComputational BiologyComputer Science ApplicationsWorkflowKnowledge baselcsh:Biology (General)Multiprotein Complexesprotein complex extractionlcsh:R858-859.7Data miningbusinesscomputerWorkflow management systemAlgorithmsSoftware
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