Search results for " oxides"
showing 10 items of 166 documents
The Participation of 3,3,3-Trichloro-1-nitroprop-1-ene in the [3 + 2] Cycloaddition Reaction with Selected Nitrile N-Oxides in the Light of the Exper…
2021
The regioselective zw-type [3 + 2] cycloaddition (32CA) reactions of a series of aryl-substituted nitrile N-oxides (NOs) with trichloronitropropene (TNP) have been both experimentally and theoretically studied within the Molecular Electron Density Theory (MEDT). Zwitterionic NOs behave as moderate nucleophiles while TNP acts as a very strong electrophile in these polar 32CA reactions of forward electron density flux, which present moderate activation Gibbs free energies of 22.8–25.6 kcal·mol−1 and an exergonic character of 28.4 kcal·mol−1 that makes them irreversible and kinetically controlled. The most favorable reaction is that involving the most nucleophilic MeO-substituted NO. Despite P…
Restricting Magnetic Interaction Pathways in Polyoxometalate Salts of Cationic Nitronyl Nitroxide Free Radicals
2004
Abstract : Salts 1 and 2 that combine the [W 6 O 19 ] 2- Lindqvist anion with the cationic nitronyl nitroxide (NN) free radicals p -MepyNN + and n Bu 3 NCH 2 NN + , respectively, have been synthesized and their structural and magnetic properties have been studied. Keywords: Nitroxide radicals, polyoxometalates, magnetism. Introduction Ferromagnetism based on purely organic materials has raised a lot of interest during the last decade [1]. Most of the studies have been performed with nitronyl nitroxide (NN) radicals due to their persistence, stability and ease of functionalization [2]. Bulk ferromagnetism in these compounds arises from ferromagnetic interactions between open-shell molecules …
Heparin–polynitroxides: Synthesis and preliminary evaluation as cardiovascular EPR/MR imaging probes and extracellular space-targeted antioxidants
2011
We report here the synthesis of heparin-polynitroxide derivatives (HPNs) in which nitroxide moieties are linked either to uronic acid or glycosamine residues of the heparin macromolecule. HPNs have low anticoagulant activity, possess superoxide scavenging properties, bind to the vascular endothelium/extra-cellular matrix and can be detected by EPR and MRI techniques. As the vascular wall-targeted redox-active paramagnetic compounds, HPNs may have both diagnostic (molecular MRI) and therapeutic (ecSOD mimics) applications.
Light absorption and conversion in solar cell based on Si:O alloy
2013
Thin film Si:O alloys have been grown by plasma enhanced chemical vapor deposition, as intrinsic or highly doped (1 to 5 at. % of B or P dopant) layers. UV-visible/near-infrared spectroscopy revealed a great dependence of the absorption coefficient and of the optical gap (Eg) on the dopant type and concentration, as Eg decreases from 2.1 to 1.9 eV, for the intrinsic or highly p-doped sample, respectively. Thermal annealing up to 400 °C induces a huge H out-diffusion which causes a dramatic absorption increase and a reduction of Eg, down to less than 1.8 eV. A prototypal solar cell has been fabricated using a 400 nm thick, p-i-n structure made of Si:O alloy embedded within flat transparent c…
Electrical and photovoltaic properties of indium‐tin‐oxide/p‐InSe/Au solar cells
1987
Conditions for efficiency improvement and optimization in indium‐tin‐oxide/p‐indium‐selenide solar cells are discussed in this paper. This aim is achieved by using low‐resistivity p‐indium‐selenide and by incorporating a back‐surface‐field contact. This contact is insured by a p‐indium selenide/gold barrier whose rectifying behavior is explained through the complex impurity structure of p‐indium‐selenide. Electrical and photovoltaic properties of the cells are also reported. The efficiency parameters under AM1 simulated conditions have been improved up to 32 mA/cm2 for the short‐circuit current density, 0.58 V for the open‐circuit voltage, and 0.63 for the filling factor. As a result, solar…
Development of the microwave transduction applied to ammonia detection : from nanomaterials to broadband sensor, understanding of the mechanisms and …
2017
The main objective of this thesis is to propose an analysis of the microwave transduction specificities in the framework of ammonia sensing applications. The two main features of this transduction are its broadband characterization (1 to 8 GHz) as well as its sensitive materials (dielectrics). This transduction method is based on the interaction between a polluting gas and a sensitive material deposited on the surface of a microwave-specific propagating structure. The response of the sensor is not directly induced by the dielectric properties of the gaseous target molecule, but rather by those of the target species adsorbed on the surface of the sensitive material. This adsorption causes a …
Oxygen isotopic exchange: A useful tool for characterizing oxygen conducting oxides
2005
International audience; The 18O/16O isotope exchange depth profile technique (IEDP) followed by SIMS characterizations was applied to dense membranes of pure ionic conductors and mixed ionic/electronic conducting materials. It is a very useful tool since we obtain in both cases data concerning the oxygen diffusion in the bulk and the oxygen exchange at the surface of the materials. Comparisons were done, including results concerning the role of the surface with regards to the oxygen reduction reaction. Detailed experimental and analytical processes are given.
Air Pollution Exposure During Pregnancy and Symptoms of Attention Deficit and Hyperactivity Disorder in Children in Europe
2018
Background: Exposure to air pollution during pregnancy may increase attention-deficit/hyperactivity disorder (ADHD) symptoms in children, but findings have been inconsistent. We aimed to study this association in a collaborative study of eight European population-based birth/child cohorts, including 29,127 mother-child pairs. Methods: Air pollution concentrations (nitrogen dioxide [NO2] and particulate matter [PM]) were estimated at the birth address by land-use regression models based on monitoring campaigns performed between 2008 and 2011. We extrapolated concentrations back in time to exact pregnancy periods. Teachers or parents assessed ADHD symptoms at 3-10 years of age. We classified …
High-pressure polymorphs of TbVO4: A Raman and ab initio study
2013
Raman measurements on TbVO4 show the occurrence of three pressure-induced phase transitions. The first one, an irreversible transition from the zircon to the scheelite structure, occurs beyond 6.7 GPa. In addition, two reversible transformations take place at 26.7 and 34.4 GPa. The last transition was never reported before. The experimental findings are supported by structural and lattice-dynamics calculations that helped us to identify the post-scheelite phase as a monoclinic fergusonite structure. According to the calculations, the third transition involves a symmetry increase. An orthorhombic structure is proposed for the phase found above 34.4 GPa. The results have been compared with pr…
Cation Environment of BaCeO3−Based Protonic Conductors II: New Computational Models
2011
Quantum chemical calculations have been carried out to simulate Y-doped BaCeO(3) derivatives. Hartree-Fock energy functional was used to study octahedral site environments embedded in a Pmcn orthorhombic framework, showing local arrangement characterized by Ce-O-Ce, Ce-O-Y, and Y-O-Y (Z-O-Ξ) configurations and including or not hydrogen close to the moieties encompassing those configurations. The latter are, in fact, representative of - and, in our modeling approach, were treated as - local arrangements that could be found in Y:BaCeO(3)-doped materials. The geometrical optimizations performed on the structural models and a detailed orbital analysis of these systems allowed us to confirm and …