Calculation of electrostatic energy H-e(fd) on 4f(N-1)5d configurations for heavy lanthanide ions

For the 4f(N-1)5d configuration the Coulomb interaction between f and d electrons was parameterized by F-k(fd) with K = 2, 4, and G(K)(fd) with K = 1, 3, 5. The spin-orbit interaction for 4f and 5d electrons can be parameterized by xi (f) and xi (d) respectively, which can be compounded into one lambda : lambda = axi (f) + bxi (d), where a and b are the corresponding coefficients. The energy expressions of H-e(fd) of the chief low-energy levels of 4f(N-) (1)5d configuration for heavy lanthanide ions were calculated and the corresponding spin-orbit parameters lambda were also given in LS coupling, which are profitable in analyzing the spectra of the heavy lanthanide ions.

Synthesis and crystal structure of bis (tert-butyl-cyclopentadienyl)erbium ethoxide, (t-BuCp)(2)ErOEt

The formation of ( t-BuCp)(2)ErOEt was discussed. Its single-crystal structure was determined by X-ray diffraction. The crystal is monoclinic, P2(1)/c space group, a = 1.0191(2), b = 1.6203(5), c = 1.2118(3) nm, beta = 102. 960( 10)degrees, V = 1.9500 (nm(3)), Z = 2, D-c = 1.566 mg . m(-3), R = 0.0450, R-w = 0.1363. The complex is monomeric and solvent-free in the solid state. The erbium ion is coordinated by two tert-butyl-cyclopentadienyl rings and one oxygen atom of ethoxy group to form a seven-coordinated complex.

Polymerization of acrylonitrile with (diisopropylamido) bis (indenyl) lanthanides

The polymerization of acrylonitrile was studied using ( diisopropylamido) his ( indenyl) lanthanides, Ind(2)LnN(i-Pr)(2)(Ln = Y, Yb) as a single-component catalyst. The effects of the amount of catalyst, monomer concentration and polymerization temperature on catalytic activity and molecular weight of polyacrylonitrile (PAN) were studied. The results show that the catalytic activity is raised obviously with rising polymerization temperature. The monomer conversion reaches 64% under polymerization temperature, monomer concentration and catalyst concentration are 50 degreesC, 5.1 mol . L (-1) and 0. 3 % (molar ratio) sequentially. The conversion and molecular weight of the polymer increase appreciably with adding additive, PhONa. When the molar ratio of PhONa to the catalyst is three I the conversion and the molecular weight is 76% and 1.32 x 10(4), respectively. The initiation mechanism for the polymerization of acrylonitrile was proposed.

Effect of lanthanum ion on peroxidase in plant

The interaction of MP-11 as a model of antioxidatase enzymes with La3+ was investigated. It was found that La3+ can increase in the non-planarity of heme and the content of alpha helix and beta turn conformations of the MP11 molecule. The change in the secondary structure of the MP-11 molecule can increase in the exposure extent of heme to the solution. Therefore, the electrochemical reaction of MP-11 is promoted and the electrocatalytic activity to the reduction of H2O2 is increased. The results are consistent with that for the interaction of peroxidases(POD), one of the antioxidatase enzymes, obtained in the living plant experiments at low concentration of La3+.

Study on transfer and interfacial kinetics of neodymium and samarium in membrane based extraction

Extraction and interfacial kinetics of Nd3+ and Sm3+ with HER/EHP-kerosene in a hollow fiber membrane extractor were studied. The results show that the extraction reactions in the hollow fiber membrane extractor are the same as those in the liquid-liquid extraction, which can be expressed as a quasi-first-order reaction. The effect of acidity in aqueous phase, concentrations of extractant, Nd3+ and Sm3+ on extraction rate were discussed and the corresponding reaction series were obtained. The reaction equations, reaction rate constants and the separation constant were obtained.

Computer simulation for effect of Tb3+ on Ca2+ speciation in human plasma

Effect of Tb3+ on Ca2+ speciation in human plasma was studied by means of the computer program of MINTEQA2. When Tb3+ ions are not added into the system, Ca2+ ions mostly distribute in free Ca2+ (74.7%) and the surplus distributes in Ca2+ complexes, such as [CaHCO3](+) (7.9%),[Ca(Lac)](+) (6.4%), CaHPO4 (1.3%), [CaHistidinateThreoninateH(3)](3+) (2.4%), [CaCitrateHistidinateH(2)] (2.3%) and CaCO3 (1.1%). Tb3+ can compete with Ca2+ for inorganic as well as biological ligands. An increase of concentration of Tb3+ in the system results in an increase of content of free Ca2+ and a decrease of contents of Ca2+ complexes.

Characterization of Y2O3 : Eu coated with polystyrene

The core-shell Y2O3:Eu3+/polystyrene particles was prepared by surface modification with citric acid and emulsion polymerization method of styrene. The DTA curve of coated particles exhibits a small and wide exothermic peak of organic compound around 387 degreesC. The carbonyl stretching vibration band was shifted to low wavenumber in FTIR spectrum and the binding energy of Y3d5/2 was shifted to high-energy band in XPS spectrum. The results of FTIR and XPS show that citric acid was coupled to the particles surface. The hydrophilic surface became amphiphilic by modification of citric acid. So styrene could adsorb on particles surface to form emulsion structure which inorganic core was inside. EDS spectra show that Y2O3:Eu3+ particles were coated uniformly with polystyrene.

Extraction and separation of thorium and ytterbium with bis (2,4,4-trimethylpentyl) phosphinic acid using a hollow fiber membrane extractor

The based membrane extraction of Th4+ and Yb3+ was studied in HBTMPP-heptane using a hollow fibber membrane. The separation method of Th4+ and Yb3+ was proposed by kinetics competition. The separation operation of Th4+ and Yb3+ mixture was carried out by two successive extraction and stripping simultaneously. The concentration ratio of Th4+ to Yb3+ is 16.74 in the stripping solution. The recovery and purity of Th4+ are 71.6% and 95.74% respectively.

Study on photochemical fluorescence enhancement of terbium-fleroxacin complex

The sensitized fluorescence intensity of terbium ion can be notably enhanced when the Tb3+-fleroxacin complex is exposed to 365 nm light. By the measurements of fluorescence spectra, phosphorescence spectra, fluorescence quantum yield and fluorescence lifetime of the system, it is proved that irradiation makes the complex undergo a photochemical reaction and produces a new terbium complex which is more favorable to intramolecular energy transfer. The mechanism of the photochemical fluorescence enhancement was discussed.

Prediction of molar absorptivities of color reagents and their color reactions with yttrium by artificial neural networks

The new topological indices A(x1)-A(x3) suggested in our laboratories were applied to the study of structure-property relationships between color reagents and their color reactions with yttrium. The topological indices of twenty asymmetrical phosphone bisazo derivatives of chromotropic acid were calculated. The work shows that QSPR can be used as a novel aid to predict the molar absorptivities of color reactions and in the long term to be helpful tool in-color reagent design. Multiple regression analysis and neural network were employed simultaneously in this study. The results demonstrated the feasibility and the effectiveness of the method.

Effect of polyvinylidene fluoride hollow fiber membranes on mass transfer of samarium

The influence of swelling and stripping acidity on the mass transfer coefficient based on water phase and the inner diameters of membranes were studied with P507-HCl-Sm as working system in the two different kinds of hollow fiber membranes. Effects of extractant concentration, H+ concentration in aqueous phase and Sm3+ concentration on extraction rate were discussed and the corresponding reaction series were obtained. According to the investigations on the interfacial kinetics, the reaction kinetics equation and reaction rate constant were obtained.

Displacement and luminescence of Eu3+ in CaYBO4

CaY1-xBO4: xEu was synthesied by solid state reaction method, and the displacement and luminescence of the Eu3+ in CaYBO4 host were studied. Two luminescent centers could be observed at certain Eu3+-concentration, indicating that the Eu3+ occupies two different crystallographic sites. This result shows that the Eu3+ occupies two different Y3+ sites in CaYBO4. The investigation on Eu-O charge transfer bands indicates that the larger distortion or the lower symmetry of Eu3+ site is,the shorter wavelength of the Eu-O charge transfer band is. When the Eu3+-concentration is high (x > 0.10), Eu3+ occupies the sites of Ca2+ and is reduced to Eu2+.

Encapsulation of Eu(TTA)(3) into MCM-41 mesoporous molecular sieve by sol-gel method

The rare earth complex Eu(TTA)(3) was successfully encapsulated into MCM-41 mesoporous molecular sieve by the addition of the complex into the sol-gel mixture for the synthesis of MCM-41 mesoporous material under microwave radiation. The as-synthesized MCM-41-hosted Eu(TTA)(3) mesophase was confirmed to possess hexagonally ordered mesostructure and a uniform crystal. size of about 30 nm with XRD and HRTEM techniques. Moreover, the IR spectrum, photoluminescence effect and fluorescence lifetime of the Eu(TTA)(3)/MCM-41 hybrid were also studied. An increase in Stokes' shift and no change in luminescence lifetime were observed to the resultant mesophase in comparison with Eu(TTA)(3) in ethanol solution.

Kinetic study of Ce4+ extraction with Cyanex 923

Ce4+ extraction rate from aqueous sulphate solutions by Cyanex923 in heptane was studied using a constant interfacial cell with laminar flow at 30 degreesC. The experimental hydrodynamic conditions were chosen and the contribution of diffusion to the measured rate of reaction was minimized. Cerium extraction rate was measured at different chemical composition by varying the concentrations of hydrogen ion, sulphate and Cyanex923. A cerium-Cyanex923(B) extractive is formed at the interface. The data were analyszed in terms of pseudo-first order constants and a reaction mechanism was developed.

Synthesis and luminescence properties of ternary europium complexes in titania matrix in the presence of dimethylformamide by a sol-gel process

In-situ synthesis of ternary europium complex with thenoyltrifluoacetone (TTA) and 1,10-phenanthroline (phen) in titania matrix in the presence of dimethylformamide (DMF) by a sol-gel process was described, which was confirmed by the luminescence excitation spectra and infrared spectra. The titania gel that contains europium complex exhibits Eu3+ characteristic emission bands and presents a longer fluorescence lifetime than the pure complexes dissolved in ethanol solution. The concentration effect on the luminescence intensity was also investigated.