Search results for "Isotropy"
showing 10 items of 1099 documents
Comparative Study of the Compressibility of M3V2O8 (M = Cd, Zn, Mg, Ni) Orthovanadates
2022
We report herein a theoretical study of the high-pressure compressibility of Cd3V2O8, Zn3V2O8, Mg3V2O8, and Ni3V2O8. For Cd3V2O8, we also present a study of its structural stability. Computer simulations were performed by means of first-principles methods using the CRYSTAL program. In Cd3V2O8, we found a previously unreported polymorph which is thermodynamically more stable than the already known polymorph. We also determined the compressibility of all compounds and evaluated the different contributions of polyhedral units to compressibility. We found that the studied vanadates have an anisotropic response to compression and that the change in volume is basically determined by the compressi…
Two stage magnetic ordering and spin idle behavior of the coordination polymer Co3(OH)2(C4O4)2·3H2O determined using neutron diffraction.
2011
We report the magnetic structure of two of the magnetically ordered phases of Co(3)(OH)(2)(C(4)O(4))(2)·3H(2)O, a coordination polymer that consists of a triangular framework decorated with anisotropic Co(II) ions. The combination of neutron diffraction experiments and magnetic susceptibility data allows us to identify one phase as displaying spin idle behavior, where only a fraction of the moments order at intermediate temperatures, while at the lowest temperatures the system orders fully. This novel magnetic behavior is discussed within the framework of a simple Hamiltonian and representational analysis and rationalizes this multiphase behavior by considering the combination of frustratio…
Molecular anisotropy analysis of single-ion magnets using an effective electrostatic model.
2014
Simple electrostatic models have been shown to successfully rationalize the magnetic properties of mononuclear single molecule magnets based on f-elements and even to predict the direction of the magnetic anisotropy axis in these nanomagnets. In this Article, we go a step forward by showing that these models, conveniently modified to account for the covalency effects, are able to predict not only the easy axis direction but also the three components of the magnetic anisotropy. Thus, by using a lone pair effective charge (LPEC) model we can fully reproduce the angular dependence of the magnetic susceptibility in single crystals of pentamethylcyclopentadienyl-Er-cyclooctatetraene single-ion m…
Structural characterization and magnetic property studies of a mixed-valence {CoIIICoII4} complex with a μ4-oxo tetrahedral {CoII4} motif
2020
We have synthesized and structurally characterized a new mixed valence pentanuclear Co complex, bearing a rare μ4-O-tetrahedral CoII4 unit, by employing a pyridine-like Schiff base ligand. We have performed DC magnetic susceptibility and magnetization measurements over polycrystalline samples and chemical quantum computations in order to understand the exchange interaction pattern within Co(II) sites and ground state magnetic anisotropy. This new complex shows an overall antiferromagnetic exchange interaction whose strength strongly depends on the local symmetry of Co(II) sites. Also, local ion magnetic anisotropy reveals a strongly axial behaviour with the lowest Kramers doublet (KD) at ea…
Variation of the ground spin state in homo- and hetero-octanuclear copper(II) and nickel(II) double-star complexes with a meso-helicate-type metallac…
2011
Homo- and heterometallic octanuclear complexes of formula Na₂{[Cu₂(mpba)₃][Cu(Me₅dien)]₆}-(ClO₄)₆·12H₂O (1), Na₂{[Cu₂(Mempba)₃][Cu(Me₅dien)]₆}(ClO₄)₆·12H₂O (2), Na₂{[Ni₂(mpba)₃]-[Cu(Me₅dien)]₆}(ClO₄)₆·12H₂O (3), Na₂{[Ni₂(Mempba)₃][Cu(Me₅dien)]₆}(ClO₄)₆·9H₂O (4), {[Ni₂(mpba)₃][Ni(dipn)(H₂O)]₆}(ClO₄)₄·12.5H₂O (5), and {[Ni₂(Mempba)₃][Ni(dipn)-(H₂O)]₆}(ClO₄)₄·12H₂O (6) [mpba = 1,3-phenylenebis(oxamate), Mempba = 4-methyl-1,3-phenylenebis(oxamate), Me₅dien = N,N,N',N'',N''-pentamethyldiethylenetriamine, and dipn = dipropylenetriamine] have been synthesized through the "complex-as-ligand/complex-as-metal" strategy. Single-crystal X-ray diffraction analyses of 1, 3, and 5 show cationic M(II)₂M'(I…
Unexpected formation of a dodecanuclear {CoII6CuII6} nanowheel under ambient conditions: magneto-structural correlations.
2021
We report the unique heterobimetallic dodecanuclear oxamate-based {CoII6CuII6} nanowheel obtained using an environmentally friendly synthetic protocol. The effective Hamiltonian methodology employed herein allows the rationalisation of magnetic isotropic or anisotropic metal clusters, being a significant advance for future studies of exciting properties only observed at low and ultralow temperatures.
A T‐Shaped μ 3 ‐Oxido Trinuclear Iron Cluster with High Easy‐Plane Anisotropy: Structural and Magnetic Characterization
2008
The synthesis, crystal structure and magnetochemical characterization of a new μ-oxido trinuclear iron cluster (oldnomenclature: μ-oxo trinuclear iron cluster), [Fe3(μ3-O)(μ2-CH3O)2(μ2-CH3COO)2(phen)2Cl3], is reported. The reaction of hydrated FeCl3 with sodium acetate and 1,10-phenanthroline in a mixture of methanol and acetonitrile afforded crystals suitable for X-ray crystallographic determination. The new compound crystallizes in the tetragonal I41/a space group (a = b = 13.6322 A, c = 37.3538 A, Z = 8, V = 6941.7 A3). The core of the complex is an isosceles triangle bridged by a μ3-O ion with a rare T-shaped geometry. The chloride ions are bound terminally, and the phenanthroline ligan…
Experimental and numerical evaluation of sandwich composite structures
2004
The main problem working with sandwich composite structures is their intrinsic anisotropy and non-homogeneity that does not allow their correct modelling. Nowadays the available data on mechanical properties of complex structures, necessary to allow a correct and reliable design, are not sufficient. The aim of the present work is to extend the knowledge of mechanical properties both on single components and on complete structures, focusing on the effects induced by different kind of skin arrangements (Kevlar, glass and carbon fibres). Compressive, shear and flexural tests were performed for a complete static mechanical characterisation of the sandwich structure both on each single component…
Anisotropy Influences on the Drug Delivery Mechanisms by Means of Joint Invariant Functions
2017
In the frame of Higuchi’s type functionality, this paper presents the anisotropy influences on the drug delivery mechanisms through the joint invariant functions to the simultaneous actions of the two SL(2R) isomorphic groups. Then, a new equation for drug delivery mechanism, independent of the type of polymer matrix and/or drug, is proposed.
Switching of easy-axis to easy-plane anisotropy in cobalt(ii) complexes
2021
A tetranuclear cubane-type complex [Co4(ntfa)4(CH3O)4(CH3OH)4] (1) with a {Co4O4} core, and a mononuclear complex [Co(ntfa)2(CH3OH)2] (2) have been rationally obtained by adjusting the ratio of the β-diketonate and Co(II) ions, with the synthetic processes being monitored by in situ microcalorimetry. Then, following synthetic conditions to obtain 2, but using three distinct N-donor coligands - 2,2'-bipyridyl (bpy), 6,6'-dimethyl-2,2'-bipyridyl (6,6-(CH3)2-bpy) and 5,5'-dimethyl-2,2'-bipyridyl (5,5-(CH3)2-bpy) - three novel mononuclear complexes have been obtained, [Co(ntfa)2(bpy)2] (3), [Co(ntfa)2(6,6-(CH3)2- bpy)2] (4) and [Co(ntfa)2(5,5-(CH3)2-bpy)2] (5). The introduction of different cap…