A new mechanism of magnetic anisotropy due to π-f exchange in graphite intercalation compound C6Eu

The origin of XY magnetic anisotropy observed in antiferromagnet C₆Eu is studied theoretically. A new mechanism of magnetic anisotropy due to the combined action of the π-f exchange and the spin-orbit interaction is proposed. It is shown that this mechanism overcomes the ordinary mechanism due to the crystal field in the case of a Eu²⁺ ion.     

The band structure and electronic properties of sulphur nitride polymer

A semiempirical calculation of the energy band structure of (SN)_x has been made on a tight-binding model with three p orbitals per atom. An important feature is that the Fermi level crosses two overlapping conduction bands. Measurements are reported of the optical transmission spectrum between 0.2 and 4.0 eV in thin films, the free carrier reflectivity in thick films, and the hydrostatic pressure dependence of the conductivity to 15 kbar. The calculated band structure accounts for experimental results connected with interband transitions (optical absorption) and intraband effects (metallic conductivity, reflectivity, specific heat).     

Variational Calculation of 4He Tetramer Ground and Excited States Using Realistic 4He–4He Potentials

We calculated binding energies and wave functions of the ⁴He tetramer ground and excited states employing various realistic ⁴He?⁴He potentials which includes the currently most accurate one with the adiabatic, relativistic, QED and residual retardation corrections. We used our Gaussian expansion method (GEM) for ab initio variational calculations of few-body systems. We found that precisely the same shape of the short-range correlation (r _ij < 4Å) in the dimer appear in the ground and excited states of trimer and tetramer. The four kinds of the binding energies of the trimer and tetramer ground and excited states, ${B_3^{(0)}, B_3^{(1)}, B_4^{(0)}}$ and ${B_4^{(1)}}$ , for the different potentials exhibit perfect linear correlations over the range of binding energies relevant for ⁴He atoms; namely, six types of the generalized atomic Tjon lines were observed.     

Dynamical properties and electronic structure of (LaLi)TiO3 conductors

A computer simulation by a molecular dynamics method is performed to study the properties of structure and Li ion diffusion in La_4/3???x Li (LaLi)TiO₃ ;LLTO;Li ion conductors;Superionic conductors;Perovskite;Off-site;Electronic structureA computer simulation by a molecular dynamics method is performed to study the properties of structure and Li ion diffusion in La_{4/3 − x} Li Ti₂O₆ =(LaLi)TiO₃ =LLTO, which is the perovskite-type Li ion conductor. In the low Li concentration, Li ions conduct a two-dimensional motion, while Li ions diffuse a three-dimensional motion in the high Li ion concentration. The partial distribution function for Li–Ti and the diffusion paths of Li ions suggest that Li ions stay for a long time at off-site positions, which are 2.7? away from a body-centered Ti ion. The Li ion concentration dependence to the conductivity σ is in approximate agreement with experiments. The energy band dispersion and the density of states are calculated using the linear-muffin-tin-orbital method. The energy contour map shows the stable position of Li ions is off center of the vacant La sites. Both calculations suggest that the stable position of Li ions is off center of the vacant La sites. Paper presented at the 11th EuroConference on the Science and Technology of Ionics, Batz-sur-Mer, Sept. 9–15, 2007.     

An efficient method to depolymerize polyamide plastics: a new use of ionic liquids

Treatment of polyamides in an ionic liquid at 300 degrees C resulted in the efficient depolymerization of polyamides to give corresponding monomeric lactam in good yields. The recovered monomer was collected by direct distillation of the reaction mixture. PP13 TFSI furnished the best results for the depolymerization. The ionic liquid could be recycled five times in the present reaction.     

Determination of the alpha, beta-adrenoceptor blocker YM-09538 in urine by gas chromatography with a nitrogen-sensitive detector

A gas chromatographic method for the quantitative determination of the alpha, beta-adrenoceptor blocker YM-09538 in urine is described. YM-09538 was extracted from alkalinized urine with ethyl acetate and converted to its cyclic methylboronate derivative. Analysis by gas chromatography using a nitrogen-sensitive detector allowed quantitation of the drug over a concentration range of 0.2-5.0 micrograms/ml. Urinary excretion of YM-09538 was determined in humans after oral administration of 50 mg.     

Properties and microstructure of silica glass incorporated with tributyl phosphate by sol–gel method

An organic phosphate species tributyl phosphate (TBP) was incorporated into sol–gel-derived glass matrix. TBP could be directly added to the hydrolyzed silica source from tetraethylorthosilicate (TEOS) and immobilized in silica glass matrix. TBP was stably immobilized in silica glass matrix even in the case where the weight ratio of TBP to silica was unity, and where the volume fraction of the glass sample occupied by TBP moiety was as large as 69%. The glass sample showed an appearance of hard glassy solid even at such a large fraction of TBP which is an organic solvent in the neat state at room temperature. The FT-IR spectrum showed that TBP was immobilized in silica glass in an intact state without chemical bonding with the siloxane network. The Vickers hardness was large enough even at higher weight ratios of TBP to silica to be measured as data indicating that the immobilized TBP molecules could play a promotive role in forming the siloxane bonding. The wide-angle X-ray scattering experiments revealed that the siloxane bonding was expanded by TBP molecules entrapped in the siloxane network. Furthermore, TBP molecules are dispersed in the siloxane network in the molecular scale.     

Group chase and escape with conversion from targets to chasers

We study the effect of converting caught targets into new chasers in the context of the recently proposed ‘group chase and escape’ problem. Numerical simulations have shown that this conversion can substantially reduce the lifetimes of the targets when a large number of them are initially present. At the same time, it also leads to a non-monotonic dependence on the initial number of targets, resulting in the existence of a maximum lifetime. As a counter-effect for this conversion, we further introduce self-multiplying abilities to the targets. We found that the longest lifetime exists when a suitable combination of these two effects is created.     

Preparation of SRN1-type coupling adducts from aliphatic gem-dinitro compounds in ionic liquids

S(RN)1-type coupling adducts are readily prepared by the reaction between a-sulfonylesters or a-cyanosulfones and gem-dinitro compounds in ionic liquids. The reactions progress smoothly and recovered ionic liquids can be used for several iterations, as long as they are washed with water to remove alkali metallic salts. The reaction rate is slower than the corresponding S(RN)1 reaction in DMSO, but no acceleration on irradiation or no inhibition in the presence of m-DNB are observed.     

Palladium-catalyzed phosphinylthiolation of terminal alkynes

Phosphinylthiolation of terminal alkynes with Ph₂P(O)SBu or a related compound proceeds in the presence of a palladium–PEt₃ catalyst system. Activity and stereoselectivity are highly dependent on the nature of solvent, ethylbenzene, and n-hexanol (or t-amyl alcohol) being E- and Z-selective, respectively.