Search results for "FINE"
showing 10 items of 1800 documents
Mathematical Evaluation of Mössbauer Spectra
1978
As in many other spectroscopic methods, it is necessary in Mossbauer spectroscopy to determine the positions, intensities or areas of the absorption and emission lines as accurately as possible. In the case of poorly resolved or complex hyperfine spectra due to different chemical species or several lattice sites in the sample it is not possible to evaluate the Mossbauer spectra just by hand. In addition, often one is faced with the problem of taking into account cosine smearing effects (Sec. 4.2), thick absorbers associated with the calculation of the transmission integral (Sec. 3.5), magnetic or electric relaxation (Sec. 6.7), or delayed coincidence Mossbauer measurements (Sec. 3.5), which…
Organic synthesis of high added value molecules with MOF catalysts
2020
Recent examples of organic synthesis of fine chemicals and pharmaceuticals in confined spaces of MOFs are highlighted and compared with silica-based ordered porous solids, such as zeolites or mesoporous (organo)silica. These heterogeneous catalysts offer the possibility of stabilizing the desired transition states and/or intermediates during organic transformations of functional groups and (C-C/C-N) bond forming steps towards the desired functional high added value molecular scaffolds. A short introduction on zeolites, mesoporous silica and metal-organic frameworks is followed by relevant applications in which confined active sites in the pores promote single or multi-step organic synthesis…
Analysis of Mn2+EPR spectral shapes for studies of the oxyfluoride glass ceramics
2011
We investigated the EPR superhyperfine structure of the Mn 2+ ion in the disordered BaF2 crystalline media which tends to crystallize in the oxyfluoride glass-ceramics material. Obtained EPR spectra reveal explicit shf structure due to Mn 2+ ion building into the BaF2 lattice showing its usefulness as a probe in orientationally disordered and amorphous structures. Two types with explicit shf structure of Mn 2+ ion characteristic EPR spectra were obtained in BaF2 powder samples characteristic with broad (type 1) and narrow (type 2) hyperfine structure lines. Spectra of the ZnF2-BaF2 oxyfluoride glass-ceramics samples revealed explicit fine structure lines.
Growth of ZnO crystals by vapour transport: Some ways to act on physical properties
2006
Nowadays, the growth of ZnO by vapor transport in silica ampoules is generally made in presence of graphite. As it has been already shown, this means that the growth process is carried out in presence of a Zn excess. In order to control that and act, as a consequence, on the physical properties of crystals we have performed a systematic study of the growth process in a wide range of Zn excess compositions using well defined experimental conditions. As a preliminary characterization, optical absorption and electrical properties have been analyzed at room temperature. The results show how some physical properties of as-grown ZnO crystals can be changed in a controlled way by an adequate combi…
Diffusion Control in Single-Site Zinc Reticular Amination Catalysts.
2020
Zn-containing metal-organic frameworks have been used for the first time as heterogeneous catalysts in the amination of C-Cl bonds. The use of extended bis(pyrazolate) linkers can generate highly porous architectures, which favor the diffusion of amines to the confined spaces with respect to other imidazolate frameworks with narrower pore windows. The N4Zn nodes of the Zn-reticular framework show comparable activity to state-of-the-art homogeneous Zn amination catalysts, avoiding the use of basic conditions, precious metals, or other additives. This is combined with long-term activity and stability upon several reaction cycles, without contamination of the reaction product. ispartof: INORGA…
Catalysis with Doped Sol-Gel Silicates
2011
Silicates doped with catalytic species have only been slowly adopted by the fine chemicals and pharmaceutical industries, in spite of their remarkable and unique properties such as pronounced physical and chemical stability; high (enantio)selective activity and ease of materials production and application. This is now changing thanks to stricter safety regulations and to concomitant success of the first commercial catalysts. In this account we tell the story of these materials and identify some deficiencies in the innovation process that may serve as lesson in guiding the future management of innovation in these relevant industries.
Computational Study on Cesium Azide Trapped in a Cyclopeptidic Tubular Structure
2008
The structures and the electronic properties of host-guest complexes formed by a cyclopeptidic tubular aggregate and the species CsN3, CS2(N-3)(2), and CS2N6 have been investigated by means of density functional theory. Taking advantage of the azide property to act as a bridge ligand between two or more metal cations, it may be possible to trap N-3(-) ions inside a confined space. This could be important for the preparation of polynitrogen molecules N-n. Results show that there are significant attractive interactions between the azide ion and the cavity walls, which make the ion stay inside the inner empty space of the cyclopeptidic aggregate. The confinement of the species CS2(N-3)(2) forc…
XAFS studies of local atomic structure of niobium tellurides
1997
Abstract We present XAFS (K-edge) studies of the local atomic structure around the Nb and Te ions in niobium tellurides (NbTe 2 , Nb 3 Te 4 and NbTe 4 ) in comparison with ZrTe 2 . Using a multi-shell best-fit analysis procedure, we have reconstructed local environments of the Nb and Te ions and compared them with the existing structural models. We found that at the Nb K-edge the XAFS data of NbTe 4 are extremely sensitive to metal clustering and to the subsequent departure from the average crystallographic positions. Moreover, at the Te K-edge the XAFS data allowed us to distinguished the different type of TeTe bonds, for instance: the dimer (TeTe: 2.9 A) and the squares (TeTe: 3.3 A) i…
Computer simulations of electron paramagnetic resonance spectra of P2O5Li2WO4Li2O glasses
1992
Abstract P2O5Li2WO4Li2O glasses have been synthesized and studied over a wide range of compositions. The glasses were characterized mainly by thermodifferential analysis and electron paramagnetic resonance (EPR). The EPR spectra are characterized by the presence of two signals with very different intensities, associated with the Wv (major signal) and Mov (minor signal) paramagnetic centres. The signals have been satisfactorily reproduced by computer simulation, assuming anisotropy in the g values as well as the hyperfine parameters and linewidths. EPR parameters have been extracted and indicate metallic ions located in environments close to square pyramidal.
<title>Level-crossing spectroscopy of the 7, 9, and 10D states of Cs in an external electric field</title>
2007
We discuss experimental and theoretical studies of coherent excitation of magnetic sublevels in n D states of cesium that cross in an external electric field. Crossings of mF magnetic sublevels of hyperfine F levels with ΔmF = ±2 lead to resonances in the linearly polarized laser induced fluorescence, while crossings with ΔmF = ±1 lead to resonances in the circularly polarized laser induced fluorescence. These resonances can be exploited to observe alignment to orientation conversion. From the level crossing signals it is possible to measure atomic properties, such as the tensor polarizability α2 and the hyperfine constant A . Alignment to orientation conversion involves the deformation of …