Molecular orbital momentum distributions and binding energies for nitric oxide

Binding energy spectra of the valence electrons of the open shell molecule NO have been obtained up to 55 eV at azimuthal angles of 0° and 7° using binary (e, 2e) spectroscopy at an impact energy of 1200 eV. The momentum distribution has been obtained for the least tightly bound (unpaired) electron, removal of which leads to formation of the X ¹Σ⁺ ground state of NO⁺. Momentum distributions have also been measured at 21.0 and 40.5 eV. The measured momentum distributions are compared with several literature wavefunctions of varying complexity. They are found to be in excellent agreement with those calculated using the natural spin orbital wavefunctions of Kouba and Ohrn.     

Cytotoxic activity of marine algae and a cytotoxic principle of the brown alga Sargassum tortile.

Partition fractions of hexane, CCl4 and CHCl3 from methanolic extracts of marine algae were each examined for cytotoxic activities against cultured P-388 lymphocytic leukemia cells. Cytotoxic activities were found for partition fractions of 21 species of seaweed. Bioactivity-guided fractionation of the CCl4 partition fraction from Sargassum tortile, exhibiting the most prominent activity, afforded dihydroxysargaquinone (1) and sargatriol (2) previously isolated from this alga. The former was evaluated as a cytotoxic principle, and the latter, showing moderate activity, was suggested to be an artifact derived from 1 during the isolation procedure.     

Stabilization of needle-crystals by the Gibbs-Thomson effect

We develop a scheme based on pseudo-differential operators to analyze the propagation of excitations in inhomogeneous extended systems. This method is used in a very specific situation, however we think that it has some generality and should apply to various other problems of current interest. We study the well known two-dimensionalsymmetric model of solidification introduced by Langer and Turski. Assuming the existence of Ivantsov-like steady-state solutions, we calculate their excitation spectrum. We show that there are no unstable propagating modes if the Gibbs-Thomson effect is taken into account. This proves that the growth of needle-crystals is stable with respect to side-branching.     

Indium(I) iodide as a radical initiator: intramolecular cyclization of functionalized bromo-alkynes to substituted tetrahydrofurans

Aryl substituted α-carbonyl bromo-alkynes undergo facile cyclizations to the corresponding substituted 4-methylene-tetrahydrofurans using indium(I) iodide in acetonitrile under sonication in high yields. The reaction is predicted to proceed via a radical process initiated by InI and a plausible radical pathway is suggested.     

The structure of an Fe monolayer on the Ni (111) surface. A density-functional study using the generalized gradient approximation

Using a density-functional method that employs linear combinations of atomic orbitals as basis sets, nonlocal norm-conserving pseudopotentials and the generalized gradient approximation for exchange and correlation, we found that at 0 K the atoms of an Fe monolayer on the Ni (111) surface occupy hcp rather than fcc sites, in keeping with previous predictions made using the ab initio all-electron full-potential linearized augmented plane wave method with the local spin density approximation.     

Effects of oxidation and cluster distribution on thermal and magnetotransport properties of mechanically alloyed Co–Cu powders

Thermal and magnetotransport properties of mechanically alloyed Co₃₀Cu₇₀ powders of three different milling times are studied. Both milling and annealing bring about oxidation of the samples. The powders show exothermic behaviors corresponding to the lattice-recovery process. Different milling times and annealing temperatures give rise to different exothermic peaks because of oxidation and the cluster distribution. At room temperature, the compressed powders show, on average, up to 11% giant magnetoresistance (GMR) under 10 kOe with sharp switching. The results may be understood in terms of spin-dependent scattering across Co/oxide/Cu interfaces. Annealing reduces the resistance but does not promote the GMR. By annealing at 400 °C, the GMR is entirely suppressed as the magnetic content is largely replaced by oxides. PACS 72.15.Eb; 75.47.De; 75.47.Np     

Existence and multiplicity of solutions for a nonlinear Neumann problem

We consider a Neumann problem of the type -εΔu+F ^′(u(x))=0 in an open bounded subset Ω of R ⁿ , where F is a real function which has exactly k maximum points. Using Morse theory we find that, for ε suitably small, there are at least 2k nontrivial solutions of the problem and we give some qualitative information about them. Received: October 30, 1999 Published online: December 19, 2001     

Optical spectroscopy of Yb/Er codoped NaY(WO4)2 crystal

Erbium and ytterbium codoped double tungstates NaY(WO₄)₂ crystals were prepared by using Czochralski (CZ) pulling method. The absorption spectra in the region 290-2000 nm have been recorded at room temperature. The Judd-Ofelt theory was applied to the measured values of absorption line strengths to evaluate the spontaneous emission probabilities and stimulated emission cross sections of Er³⁺ ions in NaY(WO₄)₂ crystals. Intensive green and red lights were measured when the sample were pumped by a 974 nm laser diode (LD), especially, the intensities of green upconversion luminescence are very strong. The mechanism of energy transfer from Yb³⁺ to Er³⁺ ions was analyzed. Energy transfer and nonradiative relaxation played an important role in the upconversion process. Photoexcited luminescence experiments are also fulfilled to help analyzing the transit processes of the energy levels.     

MULTI-MODE TRIMMING OF IMPERFECT THIN RINGS USING MASSES AT PRE-SELECTED LOCATIONS

This paper presents a practical method for trimming the natural frequencies of an initially imperfect ring to simultaneously eliminate certain of the frequency splits present. Compared with previous work, the novel feature of this method is that the trimming masses are positioned at pre-selected locations on the ring. The basis for the proposed method is the concept of equivalent imperfection mass, which allows any imperfect ring to be considered as a perfect ring with equivalent imperfection masses attached. By considering this trimming problem it is deduced that it is possible to trim N pairs of modes simultaneously by removing (a minimum of) 2 N trimming masses at particular locations around the ring. By positioning the trimming masses at pre-selected locations, it is shown that a simple set of trimming masses can be calculated easily, and from this set an infinite number of solution sets can be found. Methods for generating these sets are outlined for the trimming of both a single and a dual pair of modes. In practice, it is likely that the trimming masses will be spaced regularly. For this special case, it is found that it is not possible to trim all single- and dual-mode pairs with any arrangement of masses. Validation of the derived simple solution set and the proposed procedure to generate further sets is achieved by studying a number of theoretical examples.     

Observation of hydrogen induced intermediate borides in PrFeB based alloys by Mössbauer effect spectroscopy

In the present work, a quantitative analysis of the phase compositions by Mössbauer effect spectroscopy of solid and conventional hydrogen disproportionated Pr_13.7Fe_80.3B_6.0 and Pr_13.7Fe_63.5Co_16.7Zr_0.1B_6.0 alloys was carried out. Significant amounts of intermediate borides t-Fe₃B and Pr(Fe, Co)₁₂B₆ were detected after solid hydrogen disproportionation treatment in Pr_13.7Fe_80.3B_6.0 and Pr_13.7Fe_63.5Co_16.7Zr_0.1B_6.0 alloys, respectively. After conventional hydrogenation–disproportionation–desorption–recombination treatment these phases were not detected and in no case residual Pr₂Fe₁₄B-phase was found. It was observed that the amount of intermediate borides after disproportionation can be correlated with the degree of texture after recombination at various temperatures.