Search results for "Prism"

showing 10 items of 120 documents

Rational Design of Single-Ion Magnets and Spin Qubits Based on Mononuclear Lanthanoid Complexes

2012

Here we develop a general approach to calculating the energy spectrum and the wave functions of the low-lying magnetic levels of a lanthanoid ion submitted to the crystal field created by the surrounding ligands. This model allows us to propose general criteria for the rational design of new mononuclear lanthanoid complexes behaving as single-molecule magnets (SMMs) or acting as robust spin qubits. Three typical environments exhibited by these metal complexes are considered, namely, (a) square antiprism, (b) triangular dodecahedron, and (c) trigonal prism. The developed model is used to explain the properties of some representative examples showing these geometries. Key questions in this ar…

Inorganic ChemistryLanthanideDelocalized electronDodecahedronAb initio quantum chemistry methodsChemistryComputational chemistryCharge densityPhysical and Theoretical ChemistrySpin (physics)Molecular physicsSquare antiprismIonInorganic Chemistry
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Field-induced single molecule magnet behavior of a dinuclear cobalt(II) complex: a combined experimental and theoretical study.

2020

Two dinuclear cobalt(ii) complexes, [(dmso)CoIIL1(μ-(m-NO2)C6H4COO)CoII(NCS)] (1) and [(dmso)CoIIL2(μ-(m-NO2)C6H4COO)CoII(NCS)] (2) [dmso = dimethylsulfoxide, H2L1 = (2,2-dimethyl-1,3-propanediyl)bis(iminomethylene)bis(6-methoxyphenol) and H2L2 = (2,2-dimethyl-1,3-propanediyl)bis(iminomethylene)bis(6-ethoxyphenol)] have been synthesized and structurally characterized by single-crystal X-ray diffraction, magnetic-susceptibility measurements and various spectroscopic techniques. Each complex contains a cobalt(ii) center with a slightly distorted octahedral geometry and a second cobalt(ii) center with a distorted trigonal prismatic one. To obtain insight into the physical nature of weak non-co…

Inorganic ChemistryMagnetizationCrystallographyMaterials scienceSpin stateschemistryOctahedral molecular geometrychemistry.chemical_elementSingle-molecule magnetZero field splittingTrigonal prismatic molecular geometryCobaltMagnetic susceptibilityDalton transactions (Cambridge, England : 2003)
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Cyanido-Bridged {LnIIIWV} Heterobinuclear Complexes: Synthesis and Magneto-Structural Study

2017

A new series of cyanido-bridged {LnIIIWV} heterobinuclear complexes of formula [LnIII(pyim)2(i-PrOH)(H2O)2(μ-CN)WV(CN)7]·2H2O [Ln = Gd (1), Tb (2), Dy (3), Ho (4), and Er (5); pyim = 2-(1H-imidazol-2-yl)-pyridine) and i-PrOH = isopropyl alcohol] were synthesized by one-pot reaction between (NH3Bu)3[W(CN)8] and [Ln(pyim)2]2+ complexes (generated in situ by mixing the corresponding LnIII ions and the pyim ligand). Compounds 1–5 are isomorphous and crystallize in the monoclinic system P21/n space group. Their crystal structure consists of binuclear units in which the octacyanotungstate(V) anion coordinates to the corresponding LnIII ion through a single cyanide ligand. The tungsten(V) and lant…

Lanthanide010405 organic chemistryChemistryStereochemistryLigandCrystal structure010402 general chemistry01 natural sciences0104 chemical sciencesIonSquare antiprismInorganic ChemistryDodecahedronCrystallographyAntiferromagnetismPhysical and Theoretical ChemistryMonoclinic crystal systemInorganic Chemistry
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The crystal structure of neodymium and europium chromate heptahydrate: Synthesis, infrared spectra, and thermal behavior of lanthanoid chromate hepta…

1991

Abstract The crystal structures of Nd2(CrO4)3 · 7H2O and Eu2(CrO4)3 · 7H2O were determined by the conventional single-crystal X-ray diffraction technique. In addition, unit cell dimensions were measured for La2 (CrO4)3 · 7H2O and Sm2(CrO4)3 · 7H2O. All these compounds are isostructural. Crystals are monoclinic, space group P2 1 c . For Nd2(CrO4)3 · 7H2O, a = 8.052(4) A, b = 19.143(4) A, c = 13.326(6) A, β = 128.15(4)°, Z = 4, Dx = 3.14 Mg · m−3, T = 296(1); and for Eu2(CrO4)3 · 7H2O, a = 7.965(3) A, b = 18.985(4) A, c = 13.185(4) A, β = 128.00(2)°, Z = 4, Dx = 3.29 Mg · m−3, T = 296(1). Ln atoms are nine-coordinated so that the coordination polyhedron is a tricapped trigonal prism for Ln1 a…

LanthanideChemistryInorganic chemistrychemistry.chemical_elementCrystal structureCondensed Matter PhysicsElectronic Optical and Magnetic MaterialsSquare antiprismInorganic ChemistryCrystallographyX-ray crystallographyMaterials ChemistryCeramics and CompositesPhysical and Theoretical ChemistryIsostructuralHydrateEuropiumMonoclinic crystal systemJournal of Solid State Chemistry
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[Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d–4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, b…

2010

The synthesis, crystal structure and magnetic properties of a new series of mixed 3d–4f complexes with the formula [{FeIII(phen)(CN)3(μ-CN)}4Ln2III(NO3)2(H2O)6(μ-bpym)]·nH2O [Ln = Eu (1), Gd (2), Dy (3) and Ho (4); n = 8 (1, 3 and 4) and 11 (2); phen = 1,10-phenantroline; bpym = 2,2′-bipyrimidine] are discussed here. Compounds 1–4 are centrosymmetric hexanuclear species whose structure is made up of two cyano-bridged {Fe2IIILnIII} heterobimetallic moieties which are connected through a bis-bidentate bpym molecule between the two rare-earth centers. The values of the iron–lanthanide distance across the single cyano-bridge are Fe(1)⋯Eu(1) = 5.5587(8) and Fe(2)⋯Eu(1) = 5.4908(8) A (1), Fe(1)⋯G…

LanthanideDenticityStereochemistryChemistryHydrogen bondGeneral ChemistryCrystal structureCondensed Matter PhysicsSquare antiprismCrystallographyOctahedronIntramolecular forceMoleculeGeneral Materials ScienceCrystEngComm
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The construction of open GdIII metal–organic frameworks based on methanetriacetic acid: New objects with an old ligand

2010

11 páginas, 11 figuras, 2 esquemas.-- et al.

LanthanideGadoliniumchemistry.chemical_elementGadoliniumAcetatesCrystallography X-RayLigandsLanthanoid Series ElementsTopologyCatalysisMagnetic propertiesOrganometallic CompoundsMolecular StructureMetal–organic frameworksLigandOrganic ChemistryGeneral ChemistryTrigonal prismatic molecular geometryX-ray diffractionCrystallographychemistryOctahedronTripodal ligandX-ray crystallographyMetal-organic framework
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Slow relaxation in doped coordination polymers and dimers based on lanthanoids and anilato ligands

2019

Abstract In this work we report the synthesis, structure and magnetic properties of two lanthanoid based coordination polymers (CP) and two dimers prepared with two derivatives of the 2,5-dihydroxy-1,4-benzoquinone (C6O4X2)2− as ligands. Using the bromanilato ligand: (C6O4Br2)2− we have prepared the CP [Eu1.96Dy0.04(C6O4Br2)3(DMSO)6]·2DMSO (1) (DMSO = dimethylsulfoxide) and with the chlorocyananilato ligand: (C6O4(CN)Cl)2−) we have prepared one CP formulated as [Eu1.96Dy0.04(C6O4(CN)Cl)3(DMSO)6] (2) and two isostructural dimers: [Eu1.96Dy0.04(C6O4(CN)Cl)3(H2O)10]·6H2O (3) and [Eu2(C6O4(CN)Cl)3(H2O)10]·6H2O (4). Compounds 1, 2 and 3 are Eu(III) compounds doped with 2.0 % of Dy(III), whereas …

LanthanideSquare antiprismatic molecular geometryDenticity010405 organic chemistryChemistryLigandRelaxation (NMR)010402 general chemistry01 natural sciences0104 chemical sciencesInorganic ChemistryMetalCrystallographyvisual_artMaterials Chemistryvisual_art.visual_art_mediumMoleculePhysical and Theoretical ChemistryIsostructuralPolyhedron
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Electron-Sponge Behavior and Electronic Structures in Cobalt-Centered Pentagonal Prismatic Co11Te7(CO)10 and Co11Te5(CO)15 Cluster Anions

2006

The novel cluster anion [Co11Te5(CO)15]- ([3]-) has been isolated and structurally characterized as part of the salt [Cp*2Nb(CO)2][3] (Cp* = C5Me5). The cobalt-centered Co10 pentagonal prism is surrounded by a shell of two μ5-Te, three μ4-Te ligands, and 15 CO groups in terminal, symmetrical, and σ-semibridging bonding modes. The hybrid carbonyl-telluride character of the ligand shell is reflected in the solid state by a one-dimensional assembly of polyhedral prisms along a backbone of [Cp*2Nb(CO)2]+ cations. Electrochemical studies reveal the presence of four redox couples of [3]n (n = −1 to −5). The electronic structures of various metal-centered and empty pentagonal-prismatic (PP) M10 cl…

LigandPentagonal prismchemistry.chemical_elementCrystal structure3. Good healthIonInorganic ChemistryMetalCrystallographychemistryvisual_artCluster (physics)visual_art.visual_art_mediumPhysical and Theoretical ChemistryValence electronCobaltInorganic Chemistry
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Prismatic adaptation effects on spatial representation of time in neglect patients

2011

Abstract Processing of temporal information may require the use of spatial attention to represent time along a mental time line. We used prismatic adaptation (PA) to explore the contribution of spatial attention to the spatial representation of time in right brain damaged patients with and without neglect of left space and in age-matched healthy controls. Right brain damaged patients presented time underestimation deficits, that were significantly greater in patients with neglect than in patients without neglect. PA inducing leftward attentional deviation reduced time underestimation deficit in patients with neglect. The results support the hypothesis that a right hemispheric network has a …

MaleCognitive Neurosciencemedia_common.quotation_subjectTemporal deficitsExperimental and Cognitive PsychologyAdaptation (eye)Neuropsychological TestsFunctional LateralityLateralization of brain functionriabilitazioneNeglectPerceptual DisordersHumansAttentionIn patientSpatial representationRight hemispherePrismatic adaptationTemporal informationAgedmedia_commonAged 80 and overSettore M-PSI/02 - Psicobiologia E Psicologia FisiologicaneglectictuSpatial attentionMiddle AgedSpatial representation of timeTime perceptionAdaptation PhysiologicalNeuropsychology and Physiological PsychologySpace PerceptionTMSTime PerceptionFemalePsychologyCognitive psychologyCortex
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Prism adaptation power on spatial cognition: Adaptation to different optical deviations in healthy individuals

2015

The main objective of the present study was to determine the minimal optical deviation responsible for cognitive after-effects in healthy individuals and to explore whether there was a relationship between the degree of optical deviation and cognitive after-effects. Therefore different leftward optical deviations (8°, 10° and 15°) were used in three different groups of healthy participants. Sensorimotor after-effects (evaluating the visuo-manual realignment) were assessed using an open-loop pointing task and cognitive after-effects (evaluating changes in spatial representation) were assessed using manual and perceptual (landmark) line bisection tasks. Results revealed that exposure to 8°, 1…

MaleGeneral Neurosciencemedia_common.quotation_subjectCognitionAdaptation (eye)Spatial cognitionDegree (music)Developmental psychologyYoung AdultCognitionSpace PerceptionHealthy individualsPerceptionAdaptation PsychologicalHumansContrast (vision)FemaleVisual FieldsPsychologyPrism adaptationPhotic StimulationPsychomotor Performancemedia_commonCognitive psychologyNeuroscience Letters
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