Search results for " bonding"
showing 10 items of 934 documents
Polyacrylate Protonation in Various Aqueous Ionic Media at Different Temperatures and Ionic Strengths
2000
The protonation constants of the polyacrylate anion (molecular mass 2000 Da) in Et4NI, Me4NCl, LiCl, LiNO3, NaCl, NaNO3, and KCl aqueous solution, were determined in a wide range of ionic strengths. A three-parameter approximation was used to express protonation constants as a function of the dissociation degree α, and their dependence on ionic strength was considered using a simple polynomial expansion. Differences in log KH between different data in different media were interpreted in terms of weak complex formation between polyacrylate and alkali metal cations. Measurements were also performed at different temperatures (15 ≤ T/°C ≤ 55) in order to calculate enthalpy and entropy changes f…
Protonation thermodynamics of 2,2'-bipyridyl in aqueous solution. Salt effects and weak complex formation
1993
Abstract Protonation constants of 2,2'-bipyridyl (bipy) have been determined potentiometrically, using (H + )-glass electrode, in different aqueous media (alkali and alkaline earth chlorides, tetramethylammonium chloride and tetramethylammonium iodide) at different temperatures and ionic strengths. The differences in log K H values are explained using a complex formation model. Formation thermodynamic parameters are given.
Thermodynamic parameters for the formation of glycine complexes with magnesium(II), calcium(II), lead(II), manganese(II), cobalt(II), nickel(II), zin…
1995
Abstract Protonation constants and Mg 2+ , Ca 2+ , Pb 2+ , Mn 2+ -, Co 2+ , Ni 2+ , Cu 2+ , Zn 2+ and Cd 2+ glycine complex formation constants have been determined in different aqueous media at different temperatures. Salt effects are explained by a complex formation model which takes into account the formation of weak species. From the temperature dependence of the formation constants, thermodynamic parameters ΔH θ (and in some cases ΔC θ p ) have been obtained. A rigorous analysis of literature data, together with experimental findings, allows recommended formation parameters, in the ranges 0 ≤ I e ≤ 1 mol l −1 ( I e is the effective ionic strength) and 5°C ≤ T ≤ 45°C, to be obt…
Cobalt Metal-Organic Framework Based on Layered Double Nanosheets for Enhanced Electrocatalytic Water Oxidation in Neutral Media
2020
A new cobalt metal-organic framework (2D-Co-MOF) based on well-defined layered double cores that are strongly connected by intermolecular bonds has been developed. Its 3D structure is held together by π-π stacking interactions between the labile pyridine ligands of the nanosheets. In aqueous solution, the axial pyridine ligands are exchanged by water molecules, producing a delamination of the material, where the individual double nanosheets preserve their structure. The original 3D layered structure can be restored by a solvothermal process with pyridine, so that the material shows a "memory effect"during the delamination-pillarization process. Electrochemical activation of a 2D-Co-MOF@Nafi…
Polyacrylates in aqueous solution. The dependence of protonation on molecular weight, ionic medium and ionic strength
2003
Abstract The protonation constants of polyacrylates with different molecular weights ( W =2000–750 000 Da) were determined in different ionic media (alkali metal chlorides and nitrates, tetraalkylammonium chlorides), at 25 °C, by potentiometric measurements (H + –glass electrode). Literature data were also considered. Different models used to analyse protonation data were compared: the first was the modified Henderson–Hasselbalch two-parameter equation, and the second was the three-parameter equation proposed by Hogfeldt. The dependence on the ionic strength of the different supporting electrolytes and all the protonation parameters involved in the two models showed the trend Et 4 N + ≫Li +…
Uranium(VI) sequestration by polyacrylic and fulvic acids in aqueous solution
2011
Stability data on the formation of dioxouranium(VI) species with polyacrylic (PAA) and fulvic acids (FA) are reported with the aim to define quantitatively the sequestering capacity of these high molecular weight synthetic and naturally occurring ligands toward uranium(VI), in aqueous solution. Investigations were carried out at t = 25 °C in NaCl medium at different ionic strengths and in absence of supporting electrolyte for uranyl–fulvate (\( {{\text{UO}}_{2}}^{2+} \)–FA) and uranyl–polyacrylate (\( {{\text{UO}}_{ 2}}^{ 2+ } \)–PAA, PAA MW 2 kDa) systems, respectively. The experimental data are consistent with the following speciation models for the two systems investigated: (i) UO2(FA1),…
Modeling of Point Defects in Corundum Crystals
1994
Several different approaches including Hartree-Fock ab initio cluster calculations, semiempirical INDO calculations, and atom-atom potentials were used for modeling of the spatial and electronic structure as well as migration mechanisms of both intrinsic defects (self-trapped and defect-trapped holes, O and Al vacancies) and impurities (transition-metal ions like Co, Fe, Mg, Mn, Ti). The atomic structure of all hole centers is found to be similar to V[sub K] centers in alkali halides (two-site model); their formation is energetically favorable. The energy required for 60[degree] hole reorientations inside the basic oxygen triangles is found to be similar to both the energy for hops between …
Ion equilibrium in lichen surrounding.
2003
In laboratory conditions, the ionic equilibriums between a solution and a cation-active layer of epiphytic lichens Hypogymnia physodes immersed in the solution were examined. It was found that such equilibriums, due to exchange of mobile cations: H, Na, K, Ca, and Mg, are established in natural conditions between a lichen and atmospheric water.
Ab initio study of the C60+Na system
2004
Abstract In this work we present the first CAS-CI calculation of the potential-electronic curves for the lowest states of the C 60 +Na system using a set of local orbitals. These orbitals permit to select a small active space describing the ionic interaction between the C 60 and the Na atom. A binding energy of about 3 eV has been found, a value substantially larger than previous theoretical results.
Metal-support and preparation influence on the structural and electronic properties of gold catalysts
2006
Abstract Nanostructured gold catalysts supported on CeO2 and SiO2 were prepared by the deposition–precipitation (DP) and the solvated metal atom dispersion (SMAD) techniques. The structural and electronic properties of the catalysts were investigated by X-ray diffraction (XRD), X-ray absorption spectroscopy (XAS) and X-ray photoelectron spectroscopy (XPS). Gold was found as small metal nanoparticles (cluster size ∼2 nm) in the SMAD-prepared samples and in ionic state in the DP catalysts. The catalytic activity of the samples was tested in the reaction of low temperature CO oxidation. Gold nanosized particles in a pure metallic state exhibited a worse catalytic performance, both on ceria and…