Publications by authors named "Paredes-Garcia V"

We have prepared and structurally characterized pivalate based {Cr Ln } complexes with Ln = Dy and Gd as well as the Y analogue, with the overall formula [Cr Ln (mdea)(piv)(OH)], Ln = Gd, Dy and Y. We are reporting a detailed experimental magnetic properties study, including magnetization relaxation dynamics and calorimetric data, supported with quantum chemical calculations. The synthesis of the Y derivative, allowed to precisely identify the Cr(III)-Cr(III) exchange interaction magnitude which proved moderately strong and in agreement with known magneto-structural correlations.

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We report two new cyanido-bridged Fe(II)-Ag(I) coordination polymers using different acetylpyridine isomers, {Fe(4acpy)[Ag(CN)]} and {Fe(3acpy)[Ag(CN)]} (4acpy = 4-acetylpyridine; 3acpy = 3-acetylpyridine) displaying thermally and photoinduced spin crossover (SCO). In both cases, the acetylpyridine ligand directs the coordination polymer structure and the SCO of the materials. Using 4-acetylpyridine, a two-dimensional (2D) structure is observed in made of layers stacked on each other by silver-ketone interactions leading to a complete SCO and reversible thermally and photoswitching of the magnetic and optical properties.

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Core-shell micro/nanomotors have garnered significant interest in biomedicine owing to their versatile task-performing capabilities. However, their effectiveness for photothermal therapy (PTT) still faces challenges because of their poor tumor accumulation, lower light-to-heat conversion, and due to the limited penetration of near-infrared (NIR) light. In this study, we present a novel core-shell micromotor that combines magnetic and photothermal properties.

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We report the synthesis, structural characterization and SMM behaviour of a new mixed valence Co(II)/Co(III) dinuclear complex bearing the Hpmide ligand. Well defined molecule pairs are observed in the crystal structure, bound through H-bond interactions directed by aqua ligands. From DC magnetometry data, a spin-only Hamiltonian approach including an axial zero-field splitting term seems to be enough for reasonable modelling, with a sizeable parameter close to 40 cm.

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We have successfully prepared and structurally characterized triangle-in-triangle {CrLn} complexes with Ln = Gd and Dy employing alcohol-amine, -methyldiethanolamine (Hmdea) and pivalate ligands. These complexes and the Yttrium analogue proved to be isostructural and crystallized in a triclinic cell. DC and AC magnetic measurements were carried out and supported by quantum computations at DFT and CASSCF levels.

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We are reporting the synthesis and structural characterization of a new hexanuclear Co(ii)/Co(iii) complex starting from a versatile pivalate cobalt precursor and the racemic mixture of a chelating Schiff base type ligand. The main [CoII4CoIII2(μ3-OH)2(μ-OR)2(μ-OR')2(μ-OR'')2]6+ core is unprecedented and exhibits an inversion center that affords only two unique Co(ii) sites. We performed DC and AC magnetic measurements and analysed them in terms of the anisotropic exchange of ground Kramers doublets at each Co(ii) site due to their unquenched angular orbital contribution to the magnetic moment.

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Cobalt (Co) is one of the most promising materials in nanotechnology due to its superior magnetic properties. However, due to the high cytotoxicity of cobalt, the activity in biological systems has been little studied. In this work, we report the structural, morphological, and magnetic properties of cobalt nanoparticles stabilized with an organic layer (Co@C-NPs) and its potential antimicrobial activity.

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In this work, we report a new octanuclear cluster based on Fe and the ligand 1-imidazole-4,5-dicarboxylic acid, [EtNH][Fe(IDC)]·10DMF·13HO (), with a metal core containing eight Fe connected by only one type of organic ligand. A peak at 573 / in the mass spectra of the compound suggests the adduct species {[Fe(IDC)]+8H}. By X-ray photoelectron spectroscopy, the oxidation state of the iron cation was confirmed to be 3+, also identifying the presence of a quaternary nitrogen species, which act as a countercation of the anionic metal core [Fe(IDC)].

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Retraction of 'Ni2[LnCl6] (Ln = EuII, CeII, GdII): the first LnII compounds stabilized in a pure inorganic lattice' by Bianca Baldo et al., Chem. Commun.

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Two new aromatic organo-imido polyoxometalates with an electron donor triazole group ([-Bu₄N]₂[Mo₆ONC₆H₄N₃C₂H₂]) () and a highly conjugated fluorene ([-Bu₄N]₂[Mo₆ONCH₉]) () have been obtained. The electrochemical and spectroscopic properties of several organo-imido systems were studied. These properties were analysed by the theoretical study of the redox potentials and by means of the excitation analysis, in order to understand the effect on the substitution of the organo-imido fragment and the effect of the interaction to a metal centre.

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Here we report the first examples of 3d-4f compounds based on LnII cations. We have obtained a series of Ni2[LnCl6] isostructural compounds where LnII = Ce 1, Eu 2 and Gd 3 which were characterized in a cubic crystalline system with a Fm3[combining macron]m space group. Magnetic and optical characterization was also performed on this new class of compounds.

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In this work the magnetic properties of bimetallic phases M'MnPS·0.25HO (M' = Co, Ni, Cu or Zn) have been explored and compared with those of the pristine phase MnPS. Magnetic susceptibility, high field magnetization and electron paramagnetic resonance (EPR) studies reveal that the transition temperature between the antiferromagnetic and paramagnetic order for the pristine phase is shifted to lower values in the bimetallic phases.

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The spectroscopic, electrochemical and photophysical properties of the first Re organometallic organoimido-polyoxometalate complex [n-BuN][MoONCH-CH-NCH-Re-phen(CO)] compared with all fragments are reported. The UV-Vis spectra are analysed using experimental and theoretical tools. In contrast to the reported studies in the literature, our results show that a new more intense band is present in the spectra of the hybrid ligand obscuring the intra-polyanion charge transfer.

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We report the crystal face indexing and molecular spatial orientation, magnetic properties, electron paramagnetic resonance (EPR) spectra, and density functional theory (DFT) calculations of two previously reported oxovanadium phosphates functionalized with Cu(II) complexes, namely, [Cu(bipy)(VO2)(PO4)]n (1) and [{Cu(phen)}2(VO2(H2O)2)(H2PO4)2 (PO4)]n (2), where bipy = 2,2'-bipyridine and phen = 1,10-phenanthroline, obtained by a new synthetic route allowing the growth of single crystals appropriate for the EPR measurements. Compounds 1 and 2 crystallize in the triclinic group P1̅ and in the orthorhombic Pccn group, respectively, containing dinuclear copper units connected by two -O-P-O- bridges in 1 and by a single -O-P-O- bridge in 2, further connected through -O-P-O-V-O- bridges. We emphasize in our work the structural aspects related to the chemical paths that determine the magnetic properties.

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In the present work, the synthesis and structural characterization of four new polyoxovanadoborate (BVO) frameworks based on the [V12B18O60H6](10-) polyanion are reported: (NH4)8(1,3-diapH2)[V12B18O60H6]·5H2O (1), K8(NH4)2[V12B18O60H6]·18H2O (2), K10[V12B18O60H6]·10H2O (3) and K8Cs2[V12B18O60H6]·10H2O (4). A global antiferromagnetic behaviour is observed for these 10V(IV)/2V(V) mixed valence clusters. The magnetic data of 1, 2 and 3, which present different countercation environments, show that 1 is more coupled than 2 and 3.

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In the structure of the title compound, {[Cu2(C10H2O8)(H2O)6]·4H2O}n, the benzene-1,2,4,5-tetracarboxylate ligand, (btec)(4-), is located on a crystallographic inversion centre in a μ4-coordination mode. The coordination environment of each pentacoordinated Cu(II) centre is square pyramidal (SBP), formed by three water molecules and two carboxylate O atoms from two different (btec)(4-) ligands. The completely deprotonated (btec)(4-) ligand coordinates in a monodentate mode to four Cu(II) atoms.

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An unusual and unique conformation of a paddle wheel type binuclear copper(II) complex containing acetate and acetamido ligands, {Cu2(μ2-O2CCH3)4}(OCNH2CH3) (1), was obtained by solvothermal synthesis. The structural characterization of this compound shows that the apical (acetamido) ligands are disposed at a 62° dihedral angle, generating a special conformation as a consequence of the synthetic method used. This conformation has not been reported in other paddle wheel copper(II) tetraacetate compounds.

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The title complex, [NaNi(C5H7O2)3]n, contains an anionic tris(acetylacetonato)nickelate(II) unit, [Ni(acac)3](-) (acac is acetylacetonate), with a highly regular octahedral coordination geometry. The Ni(II) cation lies on a Wyckoff a site, resulting in D3 symmetry of the anion. Charge balance is provided by sodium cations, which occupy Wyckoff type b sites.

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A theoretical study of the magnetic properties, using density functional theory, of a family of trinuclear μ3-OH copper(II) complexes reported in the literature is presented. The reported X-ray crystal structures of [Cu3(μ3-OH)(aat)3(H2O)3](NO3)2 · H2O (HUKDUM), where aat: 3-acetylamine-1,2,4-triazole; [Cu3(μ3-OH)(aaat)3(H2SO4)(HSO4)(H2O)] (HUKDOG), where aaat: 3-acetylamine-5-amine-1,2,4-triazole; [Cu3(μ3-OH)(PhPyCNO)3(tchlphac)2] (HOHQUR), where PhPyCNO: phenyl 2-pyridyl-ketoxime and tchlphac: acid 2,4,5-trichlorophenoxyacetic; [Cu3(μ3-OH)(PhPyCNO)3(NO3)2(CH3OH)] (ILEGEM); [Cu3(μ3-OH)(pz)3(Hpz)3(ClO4)2] (QOPJIP), where Hpz = pyrazole; [Cu3(μ3-OH)(pz)3(Hpz)(Me3CCOO)2] ∙ 2Me3CCOOH (DEFSEN) and [Cu3(μ3-OH)(8-amino-4-methyl-5-azaoct-3-en-2-one)3][CuI3] (RITXUO), were used in the calculations. The magnetic exchange constants were calculated using the broken-symmetry approach.

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EPR measurements have been performed on single crystals of [Cu(L-tyrosine)(2)](∞) at 33.8 GHz and at room temperature. The EPR spectra display partially resolved EPR lines for most orientations of the magnetic field in the ab plane, and only one resonance for orientations close to the crystal axes, while only a single line is observed along any direction in the ca and cb crystal planes.

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A structural and magnetic characterization of a trinuclear chiral Mn(II) formate three-dimensional framework exhibiting a triangular arrangement is presented. Compound Na(3)[Mn(3)(HCOO)(9)] was obtained by solvothermal synthesis and crystallizes in the chiral cubic space group P2(1)3 and is well described by a Delta conformation. The structure displays triangular Mn(3) building blocks, in which the metal centers are bonded by formate ligands in a syn-anti mode (Mn-Mn 5.

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A new extended metal-organic framework [Cu(H2btec)(bipy)]infinity. (1) (H4btec= 1,2,4,5-benzenetetracarboxylic acid; bipy = 2,2'-bipyridine) has been hydrothermally synthesized. Violet crystals are formed in a monoclinic system with a space group C2/c; a = 10.

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The structure of the title compound, (C(10)H(10)N(3))(2)[ZnCl(4)], is composed of C(10)H(9)N(3)H(+) (DPAH(+)) cations and [ZnCl(4)](2-) anions. The two pyridyl rings of DPAH(+) are approximately coplanar, with a dihedral angle of 7.2 (2)° between their corresponding least-squares planes.

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