Exchangeable basic cations and nitrogen distribution in soil as affected by crop residues and nitrogen

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

DFT study of the water-assisted tautomerization process between hydrated oxide, MO(H2O)(+), and dihydroxide, M(OH)(2)(+) cations (M = V, Nb and Ta)

Density functional theory (DFT) calculations point out that the participation of water can effectively lower the barrier height for the isomerization process between hydrated oxide cation, MO(H2O)(+), and dihydroxide cation, M(OH)(2)(+), (M = V, Nb and Ta). The catalytic effect is achieved by a water-assisted mechanism in which water acts as proton donor and acceptor, via a transition structure corresponding to a six-membered ring. In the case of vanadium atom, the presence of two water molecules has been taken into account and the tautomerization becomes nearly barrierless, decreasing both the stability of the transition structures relative to intermediates and the depths of wells associated with the intermediates. (C) 2003 Elsevier B.V. All rights reserved.

Synthesis and thermal studies of solid state 2-chloro-benzylidenepyruvic acid and its compounds with sodium, aluminium (III), gallium (III) and indium (III) cations

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Electrical conductivity of silicate glasses with tetravalent cations substituting Si

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Weathering rates at Alto Sorocaba basin, Brazil, using U-isotopes and major cations

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

A homovalent doping in PMN ceramics by using lithium and scandium cations

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Effect of variations in annealing temperature and metallic cations on nanostructured molybdate thin films

Crystalline molybdate thin films were prepared by the complex polymerization method. The AMoO(4) (A = Ca, Sr, Ba) films were deposited onto Si wafers by the spinning technique. The Mo-O bond in the AMoO(4) structure was confirmed by FTIR spectra. X-ray diffraction revealed the presence of crystalline scheelite-type phase. The mass, size, and basicity of A(2+) cations was found to be dependent on the intrinsic characteristics of the materials. The grain size increased in the following order: CaMoO4 < SrMoO4 < BaMoO4. The emission band wavelength was detected at around 576 nm. Our findings suggest that the material's morphology and photoluminescence were both affected by the variations in cations (Ca, Sr, or Ba) and in the thermal treatment.

Environmental coordination chemistry: Binary systems comprising some bivalent cations and monocarboxylates in aqueous solution. Ionic medium effects on equilibrium constants

The molar single activity coefficients associated with propionate ion (Pr) have been determined at 25 degrees C and ionic strengths comprised between 0.300 and 3.00 M, adjusted with NaClO4, as background electrolyte. The investigation was carried out potentiometrically by using a second class Hg/Hg2Pr2 electrode. It was found that the dependence of propionate activity coefficients as a function of ionic strength (I) can be assessed through the following empirical equation: log y(Pr) = -0.185 I-3/2 + 0.104 I-2. Next, simple equations relating stoichiometric protonation constants of several monocarboxylates and formation constants associated with 1:1 complexes involving some bivalent cations and selected monocarboxylates, in aqueous solution, at 25 degrees C, as a function of ionic strength were derived, allowing the interconversion of parameters from one ionic strength to another, up to I = 3.00 M. In addition, thermodynamic formation constants as well as parameters associated with activity coefficients of the complex species in the equilibria are estimated. The body of results shows that the proposed calculation procedure is very consistent with critically selected experimental data.

Ionic medium effects on equilibrium constants .2. Binary systems comprising some bivalent cations and monocarboxylates in aqueous solution

Simple equations were derived relating stoichiometric protonation constants of several monocarboxylates and formation constants associated with 1:1 complexes involving some bivalent cations and selected monocarboxylates, in aqueous sodium perchlorate media, at 25 degrees C, as a function of ionic strength (I), allowing the interconversion of parameters from one ionic strength to another, up to I = 3.00 M. In addition, thermodynamic formation constants as well as activity coefficients of the species involved in the equilibria were estimated. The results show that the proposed calculation procedure is very consistent with critically selected experimental data.

Thermal decomposition of microcrystalline cellulose and its pure and containing adsorbed cadmium cations derivatives.

We have studied the thermal decomposition of the microcrystalline cellulose and some of its derivative such as pure carboxymethylcellulose (CMCH), phosphate cellulose (FOSCEL) and oxycellulose (OXICEL) and also these same derivatives containing adsorbed cadmium cations. We have used the TG,DTG tecniques in order to determine the quantity of retained cadmium II cations on the surface of these adsorbents.

Anthropogenic influences on annual flux of cations and anions at meio stream basin, São Paulo State, Brazil

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Electronic spectra, ESR and crystal structure of tetrahedral halocuprates(II). The existence of cations (2tbpo·H+) with a very short hydrogen bond

Two compounds [2tbpo·H+)2[CuCl4]= (yellow) and (2tbpo·H+)2[CuBr4]= (dark purple) (tbpo = tribenzylphosphine oxide) have been prepared and investigated by means of crystal structure, electronic, vibrational and ESR spectra. The crystal structure of the (2tbpo·H+)2[CuCl4]= complex was determined by three-dimensional X-ray diffraction. The compound crystallizes in the space group P42/n with unit-cell dimensions a = 19.585(2), c = 9.883(1)Å, V = 3790 (1)Å3, Z = 2, Dm = 1.303 (flotation) Dx = 1.302 Mg m-3. The structure was solved by direct methods and refined by blocked full-matrix least-squares to R = 0.053 for 2583 observed reflections. Cu(II) is coordinated to four chlorides in a tetrahedral arrangement. Tribenzylphosphine oxide molecules, related by a centre of inversion, are connected by a short hydrogen bridge. Chemical analysis, electronic and vibrational spectra showed that the bromide compound is similar to the chloride one and can be formulated as (2tbpo·H+)2[CuBr4]=. The position of the dd transition bands, the charge transfer bands, the ESR and the vibrational spectra of both complexes are discussed. The results are compared with analogous complexes cited in the literature. © 1983.

Counterion effects on the structure and solubilization properties of anionic detergents. Role of hydrophobic cations in stabilizing micelles and attenuating their solvent properties

A series of alkyl sulfate detergents has been investigated in the presence of the cations Na +, methylviologen(2+) (MV 2+), 4-(cyanomethyl)pyridinium(1+) (CMP +), and tetramethylammonium (TMA +). The binding of these ions to the aqueous micellar assemblies has been measured through studies of luminescence quenching with the extramicellar probe, RuL 34-, where L = 4,4′-dicarboxy-2,2′-bipyridine. A general comparison of the alkyl sulfate aggregates with the nonquenching cations Na + and TMA + shows that the latter ion reduces the critical micelle concentration but at the same time depresses the ability of the detergent assemblies to bind or solubilize the hydrophobic quencher cations MV 2+ or CMP +. The reduced binding ability of the TMA + aggregates compared to that of the corresponding Na + soaps shows up largely in the form of a reduced favorable ΔS° for the solubilization in the case of the former. The results are in accord with a picture of the TMA + micelle as being more stable and more disordered than the corresponding assembly with Na + as the counterion. © 1989 American Chemical Society.

The substitution of cations by magnesium in the structure K3Ho(VO4)2

The cation substitutions in the crystal lattice of binary potassium-holmium vanadate (V) K3Ho(VO4)2 by magnesium have been studied using various types of chemical solid state reactions. It was shown that in the presence of the quasi-ternary system K3VO4-Mg3(VO4)2-HoVO 4 at 700°C there a compound defined as K3Ho(VO4)2 with a narrow homogeneity range where K and Ho are partially substituted by Mg in accordance with various schemes. © 1998 Published by Elsevier Science S.A.

Measuring the solubility product constant of paramagnetic cations using time-domain nuclear magnetic resonance relaxometry

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)