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231.
232.
Calzado CJ Clemente-Juan JM Coronado E Gaita-Arino A Suaud N 《Inorganic chemistry》2008,47(13):5889-5901
Modeling the properties of high-nuclearity, high-electron-population, mixed-valence (MV) magnetic systems remains one of the open challenges in molecular magnetism. In this work, we analyze the magnetic properties of a series of polyoxovananadate clusters of formula [V 18O 42] (12-) and [V 18O 42] (4-). The first compound is a fully localized spin cluster that contains 18 unpaired electrons located at the metal sites, while the second one is a MV cluster with 10 unpaired electrons largely delocalized over the 18 metal sites. A theoretical model that takes into account the interplay between electron transfer and magnetic exchange interactions is developed to explain the unexpected enhancement of the antiferromagnetic coupling when the number of unpaired electrons is reduced from 18 to 10 in these clusters. In the MV area, these systems represent the most complex magnetic clusters studied theoretically so far. Because of the high complexity of the systems, the number of relevant parameters is too large for a conventional model Hamiltonian approach. We therefore perform a theoretical study that combines ab initio calculations with the model Hamiltonian. In this way, we use ab initio calculations performed on small fragments of the cluster to lower the degrees of freedom of the parameter set of the model Hamiltonian that operates in the whole MV cluster. This approach shows the usefulness of combining ab initio calculations with model Hamiltonians in order to explore the magnetic properties of large and complex molecular systems, emphasizing the key role played by the electron transfer in these model magnetic materials. 相似文献
233.
David?Cruz-Uribe Eugenio?HernándezEmail author José?María?Martell 《Monatshefte für Mathematik》2016,179(3):355-378
We compute the right and left democracy functions of admissible wavelet bases in variable Lebesgue spaces defined on \(\mathbb R^n\). As an application we give Lebesgue type inequalities for these wavelet bases. We also show that our techniques can be easily modified to prove analogous results for weighted variable Lebesgue spaces and variable exponent Triebel–Lizorkin spaces. 相似文献
234.
The applicability of an Energy Dispersive X-ray Diffractometer to some technical questions in the field of Cultural Heritage is presented. This diffractometer, equipped with a white source, has been utilized for the structural and elemental analysis of some items having different nature. Given its design, the instrument allows to collect data from samples as big as a book or a little more. Samples, without collection of any portion and without any preliminary preparation, have been placed in the instrument and spectra have been collected in a wide energy range that contains X-ray fluorescence and diffraction features. In all cases, data acquired in air and in a non destructive way were reliable and their collection was fast. Fluorescence and X-ray diffraction information, when possible, have been compared with those obtained by XRF micro-analysis and by an Angle Dispersive X-ray Diffractometer equipped with a Cu X-ray source. By using the last two techniques, data have been collected from small areas of the samples. 相似文献
235.
Neutral layers of the bimetallic oxalate complex {[Co(H2O)2]3[Cr(ox)3]2}infinity are formed in the presence of a crown ether and stabilized by hydrogen bonding. The resulting soluble ferromagnet orders at Tc = 7.4 K. 相似文献
236.
The synthesis of bifunctional dinuclear platinum complexes, [{PtCl(dach)}(2)-mu-Y](n+)Cl(n) (1-3; Y = H(2)N(CH(2))(3)NH(2)(CH(2))(4)NH(2), H(2)N(CH(2))(6)NH(2)(CH(2))(6)NH(2), and H(2)N(CH(2))(6)NH(2)(CH(2))(2)NH(2)(CH(2))(6)NH(2), respectively; Figure 1) is reported. There was no labilization of the polyamine linker groups of the cis-1,2-diaminocyclohexane complexes in the presence of sulfur-containing species at physiological pH, in contrast to previous studies preformed on trans complexes. Metabolism reactions are somewhat dependent on the nature of the polyamine: at physiological pH, the spermidine complex 1 forms an inert (tetraamine)platinum species in which one platinum is chelated by a central and terminal amino group. The stability of cis-geometry complexes may make them viable second-generation polynuclear platinum clinical candidates. 相似文献
237.
Francisco Fraga Lpez Javier Vlcarcel Victor H. Soto Jos M. Martínez Ageitos Eugenio Rodríguez Jos Vzquez Tato 《先进技术聚合物》2021,32(1):202-209
The epoxy resin diglycidyl ether of Bisphenol A (BADGE n = 0) has been cured with a new synthesized hardener (2‐adamantylethanamine) and the crosslinking reaction was characterized by DSC. Values of 413.3 J/g and 95°C have been obtained for the enthalpy of the reaction and the glass transition temperature, respectively. The experimental results obey Kamal's model over all conversion range of temperatures (70°C‐100°C). The activation energies of the mechanisms involved in the curing reaction have been determined for both the autocatalytic and the n‐order mechanism, the values being 63.3 and 29.8 kJ/mol, respectively. The value for Tg is 23°C higher than the one for (BADGE n = 0)/amantadine, while the activation energy for the n‐order mechanism is around 13 kJ/mol lower. This is consistent with a higher steric effect of the adamantyl group in the second hardener since it will hinder the opening the oxirane ring by the nitrogen atom of the amino group. As the polymerization reaction progress, this effect will disappear as the distance adamantyl‐oxirane increase when new oxirane groups react with the hydroxyl groups (autocatalyzed reaction). Consequently, by selecting the appropriate cross‐linking agent, it is possible to simultaneously increase Tg while reducing theactivation energy, two effects which may be desirable for some industrial applications of the material. 相似文献
238.
Daniele Bartolucci Eugenio Montefusco 《Mathematical Methods in the Applied Sciences》2007,30(18):2309-2327
Motivated by the study of a two‐dimensional point vortex model, we analyse the following Emden–Fowler type problem with singular potential: where V(x) = K(x)/|x|2α with α∈(0, 1), 0<a?K(x)?b< + ∞, ?x∈Ω and ∥?K∥∞?C. We first extend various results, already known in case α?0, to cover the case α∈(0, 1). In particular, we study the concentration‐compactness problem and the mass quantization properties, obtaining some existence results. Then, by a special choice of K, we include the effect of the angular momentum in the system and obtain the existence of axially symmetric one peak non‐radial blow‐up solutions. Copyright © 2007 John Wiley & Sons, Ltd. 相似文献
239.
240.
Francesca Buiarelli Patrizia Di Filippo Carmela Riccardi Donatella Pomata Eugenio Rumolo Luigi Giannetti 《International journal of environmental analytical chemistry》2015,95(8):713-729
An effective analytical method for the screening of mycotoxins, in indoor/outdoor airborne particulate matter, was developed and method performance data are presented. Mycotoxins are natural compounds produced, in particular conditions, as secondary metabolites by filamentous fungi and moulds, and, after their production, they can be transported far from their source. To simulate real samples, an urban dust (reference material 1649a) free from mycotoxins was used as matrix and spiked by the most common mycotoxins, chosen on the basis of studies carried out previously in other real matrices: deoxynivalenol, aflatoxin B1, ochratoxin A, T-2 toxin, zearalenone and sterigmatocystin. The analytical method was optimised and structured in four successive steps: (1) accelerated solvent extraction of the (spiked) analytes from matrix, (2) solid-phase purification (SPE) of the previous extract, (3) pre-concentration of the eluates from SPE and (4) analysis of the concentrated eluates by high performance liquid chromatography tandem mass spectrometry in multiple reaction monitoring mode. After a proper sampling campaign, the method was applied to real indoor and outdoor particulate matter samples, where the clean-up step showed to be very effective and fundamental to avoid misleading analytical results. 相似文献