321 resultados para ION-ATOM COLLISIONS
Resumo:
The present investigation of ion-acoustic waves is based on the study of the nonlinearity of plasma waves in a dispersive medium. Here the authors study ion-acoustic solitary waves in a warm ion plasma with non-isothermal electrons and then the results for solitary waves in a plasma with isothermal electrons are obtained. Incorporating the previous results obtained from the solitary wave solutions, the authors generalize the effect of negative ions on ion-acoustic waves in plasmas consisting of either a warm or cold ion species. A reflection phenomenon of ions in these waves is also studied. These results can be generalized, but the discussion is limited to a particular model of the plasma.
Resumo:
The crystal and molecular structure of sodium deoxyinosine monophosphate (5'-dIMP) has been determined by x-ray crystallographic methods. The crystals belong to orthorhombic space group P212121, with a = 21.079(5) Aring, b = 9.206(3) Aring and c = 12.770(6) Aring. This deoxynucleotide shows common nucleotide features namely anti conformation about the glycosyl bond, C2' endo pucker for the deoxyribose sugar and gauche-gauche orientation for the phosphate group. The sodium ion is directly coordinated to the O3' atom, a feature observed in many crystal structures of sodium salts of nucleotides.
Resumo:
Ab initio molecular orbital (MO) calculations with the 3-21G and 6-31G basis sets were performed on a series of ion-molecule and ion pair-molecule complexes for the H2O + LiCN system. Stabilisation energies (with counter-poise corrections), geometrical parameters, internal force constants and harmonic vibrational frequencies were evaluated for 16 structures of interest. Although the interaction energies are smaller, the geometries and relative stabilities of the monohydrated contact ion pair are reminiscent of those computed for the complexes of the individual ions. Thus, interaction of the oxygen lone pair with lithium leads to a highly stabilised C2v structure, while the coordination of water to the cyanide ion involves a slightly non-linear hydrogen bond. Symmetrical bifurcated structures are computed to be saddle points on the potential energy surface, and to have an imaginary frequency for the rocking mode of the water molecule. On optimisation the geometries of the solvent shared ion pair structures (e.g. Li+cdots, three dots, centered OH2cdots, three dots, centered CN−) revealed a proton transfer from the water molecule leading to hydrogen bonded forms such as Li-O-Hcdots, three dots, centered HCN. The variation in the force constants and harmonic frequencies in the various structures considered are discussed in terms of ion-molecular and ion pair-molecule interactions.
Resumo:
Solid solutions of the formula, A2–xLa2Ti3–xNbxO10(A = K, Rb), exist for the range 0[less-than-or-eq]x[less-than-or-eq]1.0, bridging n= 3 members of the Ruddlesden–Popper series (A2La2Ti3O10) and the Dion–Jacobson series (ALa2Ti2NbO10). For 0[less-than-or-eq]x[less-than-or-eq]0.75, the phases possess body-centred structures characteristic of the Ruddlesden–Popper phases, while the x= 1 members are isostructural with KCa2Nb3O10(A = K) and CsCa2Nb3O10(A = Rb). Protonated derivatives, H2–xLa2Ti3–xNbxO10, which are prepared by ion exchange, retain the structural difference of the parent phases. A difference in the Brønsted acidity of the protonated derivatives revealed by intercalation experiments with organic bases seems to be related to this structural difference.
Effects of thermal annealing on the properties of zirconia films prepared by ion-assisted deposition
Resumo:
The effect of thermal annealing in the range 300–800 °C on the properties of zirconia films prepared by ion assisted deposition was studied. It was found that at low temperature the cubic phase is formed. This phase is stable up to 700 °C. All the films exhibit a monophasic monoclinic structure at 800 °C. The stress, estimated from X-ray patterns, shows a transition from tensile to compressive with increasing ion fluence. The refractive index and extinction coefficient do not seem to change appreciably up to 700 °C, showing a marked degradation thereafter. Single step annealing to the highest temperature was found to result in better stability than multistep annealing.
Resumo:
Ceric ammonium sulfate, CAS, oxidizes naphthalene to 1,4-naphthoquinone in essentially quantitative yield in CH3CN-dil. H2SO4. Stoichiometric studies indicate that 6 mol of CAS are required for the oxidation of 1 mol of naphthalene to 1,4-naphthoquinone. Kinetic investigations reveal that the reaction takes place through initial formation of a 1:1 complex of naphthalene and cerium(IV) in an equilibrium step followed by slow decomposition of the complex to naphthalene radical cation. Kinetic results on the effects of acid strength, polarity of the medium, temperature and substituents are in accordance with this mechanism. Further conversion of the radical cation into 1,4-naphthoquinone takes place in fast steps involving a further 5 mol of cerium(IV) and 2 mol of H2O.
Resumo:
A microscopic theory of the statics and the dynamics of solvation of an ion in a binary dipolar liquid is presented. The theory properly includes the different intermolecular correlations that are present in a binary mixture. As a result, the theory can explain several important aspects of both the statics and the dynamics of solvation that are observed in experiments. It provides a microscopic explanation of the preferential solvation of the more polar species by the solute ion. The dynamics of solvation is predicted to be highly non-exponential, in general. The average relaxation time is found to change nonlinearly with the composition of the mixture. These predictions are in qualitative agreement with the experimental results.
Resumo:
A recently developed microscopic theory of solvation dynamics in real dipolar liquids is used to calculate, for the first time, the solvation time correlation function in liquid acetonitrile, water and methanol. The calculated results are in excellent agreement with known experimental and computer simulation studies.
Resumo:
Thin films of titanium dioxide have been deposited using ion assisted deposition with oxygen ions in the energy range 100�500 eV and current densities up to 100 ?A/cm2. It has been observed that the refractive index of the films increases up to 300 eV and the extinction coefficient increased only nominally up to 300 eV. Optical band gap calculations have shown a strong dependence of the gap on the energy of incident ions. Beyond a critical energy and current density of the ions the refractive index and extinction coefficient of the films start deteriorating. It has also been found that beyond the critical values the optical band gap value decreases. The maximum refractive index obtained was 2.49 at an energy of 300 eV and 50 ?A/cm2 current density. Post?deposition annealing of the films at 500?°C resulted in a slight increase in refractive index without affecting the extinction coefficient. X?ray diffraction studies revealed a monophasic anatase structure in these films. ?
Resumo:
High quality, single-crystalline alpha-MoO3 nanofibers are synthesized by rapid hydrothermal method using a polymeric nitrosyl-complex of molybdenum(II) as molybdenum source without employing catalysts, surfactants, or templates. The possible reaction pathway is decomposition and oxidation of the complex to the polymolybdate and then surface condensation on the energetically favorable 001] direction in the initially formed nuclei of solid alpha-MoO3 under hydrothermal conditions. Highly crystalline alpha-MoO3 nanofibers have grown along 001] with lengths up to several micrometres and widths ranging between 280 and 320 nm. The alpha-MoO3 nanofibers exhibit desirable electrochemical properties such as high capacity reversibility as a cathode material of a Li-ion battery.
Resumo:
The PbS quantum dots synthesized in PVA are used to investigate their photoluminescence (PL) response to various ions such as Zn, Cd, Hg, Ag, Cu, Fe, Mn, Co, Cr and Ni ions. The enhancement in the photoluminescence intensity is observed with specific ions namely Zn, Cd, Hg and Ag. Among these four ions, the PL response to Hg and Ag even at sub-micro-molar concentrations is quite high, approximately an order of magnitude higher than Zn and Cd. It is interesting to observe that the change in Pb and S molar ratio has profound effect on the selectivity of these ions. The samples prepared under excess of S are quite effective compared to Pb. Indeed, the later one has hardly any effect on the photoluminescence response. These results also indicate that the sensitivity of these QDs could be fine-tuned by controlling the S concentration at the surface. Contrary to the above, Cu, Fe and Co quenches the photoluminescence. Another interesting property of PbS in PVA observed is photo-brightening mechanism due to the curing of the polymer with laser. However, the presence of excess ions at the surface changes its property to photo-darkening/brightening that depends on the direction of carrier transfer mechanism (from QDs to the surface adsorbed metal ions or vice-versa), which is an interesting feature for metal ion detectivity.
Resumo:
We utilize top polarization in the process e(+)e(-) -> t (t) over bar at the International Linear Collider ( ILC) with transverse beam polarization to probe interactions of the scalar and tensor type beyond the standard model and to disentangle their individual contributions. Ninety percent confidence level limits on the interactions with realistic integrated luminosity are presented and are found to improve by an order of magnitude compared to the case when the spin of the top quark is not measured. Sensitivities of the order of a few times 10(-3) TeV-2 for real and imaginary parts of both scalar and tensor couplings at root s = 500 and 800 GeV with an integrated luminosity of 500 fb(-1) and completely polarized beams are shown to be possible. A powerful model-independent framework for inclusive measurements is employed to describe the spin-momentum correlations, and their C, P, and T properties are presented in a technical appendix.