X-Ray Structure and Proton NMR Study of a Hexacoordinated Lithium Complex

The structure of the lithium complex with1,3,5-tris[oxymethylene(N,N-dicyclohexyl)carboxyamido]cyclohexanehas been determined by the X-ray method.The compound is triclinic, space group P¯1,a = 15.623(3), b = 19.279(4),c = 19.295(4)Å = 102.32(3), = 92.45(3), = 105.67(3)0, V = 5436(2)Å3, Z = 4. Itscomposition is represented by the formulaC48H82N3O6LiI 0.5H2O. The lithium cationis encapsulated in a polar pseudo-cavity of six oxygen atoms of the ligandmolecule and displays a distorted trigonal prism coordination. The conformationof the ligand in the solid state complex has been compared with the conformationof the complex in solution determined by 1H-NMR measurements.Supplementary data relevant to this publication have been deposited with the British Library, No. SUP 82224 (21 pages).     

High‐efficiency polymer solar cells based on phenylenevinylene copolymer with BF2‐azopyrrole complex and CN‐PC70BM with solvent additive

Power conversion efficiency (PCE) of phenylenevinylene‐based copolymer with BF₂ azopyrrole complex (PB)/modified PC₇₀BM, that is, CN‐PC₇₀BM bulk heterojunction solar cells improves from 2.16 to 4.90% using a processing additive and drying condition. The results demonstrate that a processing additive and drying condition provides an effective means to control both the surface roughness and finer interpenetrating networks to enhance the exciton dissociation into free charge carriers, charge transportation, and collection. Taking into the account of simple device fabrication process without thermal annealing, the PCE of the polymer solar cell can further improved by chloronapthalene (CN) additive under the fast drying condition. The average carrier lifetimes extracted from the impedance spectra and found to correlate with measured PCEs. At short circuit conditions and illumination, the average charge carrier lifetime was found vary from 16.8 to 32 μs with power conversion efficiencies ranging from 3.0 to 4.9%. © 2012 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012     

Experimental results on neutrino-electron scattering

A determination of sin² θ _w based on measurements of elastic scattering of muon-neutrinos and muon-anti-neutrinos on atomic electrons is described. These purely leptonic processes were studied using the CHARM calorimeter exposed to neutrino and antineutrino wide-band beams at the CERN super proton synchrotron. A total of 83±16 neutrino-electron and 112±21 antineutrino-electron events have been detected. From the measurement of the ratio of muon-neutrino and muon-antineutrino cross-sections a value of sin² θ _w =0.211±0.037 was obtained.     

Truncation rules for modelling discontinuities with Galerkin method in electromagnetic theory

It is well known that apparently similar discretization schemes of Maxwell's equations in Fourier series may provide very different convergence performances because of truncation. We argue that this work performed in grating theory can be applied to other electromagnetic theories relying on expansions over series different from Fourier series. This generalization is supported by an intuitive argument and by a simple numerical example with Hermite–Gauss functions.     

Transport with a Very Low Density Contrast in Hele–Shaw Cell and Porous Medium: Evolution of the Mixing Zone

The optimal concentration of a blue dye solution with 'tracer' properties, enabling a pollutant to be marked was determined by the use of numerical, theoretical and experimental approaches. Experimental investigations were performed on a transparent Hele–Shaw cell and the concentration distribution was analyzed using an optical technique based on dye light absorption properties. The injected optimal concentration was established thanks to a theoretical and experimental study carried out on the output signal dynamics. Using the same experimental conditions, numerical simulations were performed. The very good agreement between the data (experimental and numerical) clarified that: (i) the choice of the blue dye optimal concentration was valid and (ii) the concentration-dependent density should not be neglected in flow and transport equations even if it concerns a so-called 'tracer'. Following this remark, a theoretical aspect was developed in order to determine the analogous conditions between a Hele–Shaw cell and a porous medium for the variable density transport phenomenon. The structure of the concentration-dependent dispersion tensor used in the numerical code was obtained by homogenizing the Stokes flow of a bi-component mixture. The numerical results show that, as long as the tracer density does not exceed a certain value, it is not necessary to take into account a density contrast in terms of the dispersion tensor. The classical form of the Taylor dispersion tensor can be used successfully.     

Linearly implicit time discretization of non-linear parabolic equations

We give a stability and error analysis of linearly implicitone-step methods for time discretization of non-linear parabolicequations. We derive precise error bounds for Rosenbrock andW-methods, and we explain the error reduction by Richardsonextrapolation of the linearly implicit Euler method which occursin spite of the breakdown of asymptotic expansions. The parabolicequations are studied in a Hilbert space framework that includessemilinear and quasilinear parabolic equations, and also stiffreaction-diffusion equations with reactions at different timescales.     

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Deuteron photodisintegration. I. Theory and results at low energies

We extend the “elementary-particle treatment” of deuteron electrodisintegration at small excitation energies, as recently developed by Hwang, Henley, and Miller, by incorporating more (np)-scattering states so that deuteron disintegration by low-energy photons (e.g., ≤150 MeV) can also be investigated. As compared to the well-known formalism obtained by Partovi, the present theory has the following distinct features: The nucleon-only impulse approximation (NOIA), as modified to incorporate gauge invariance (GI), is assumed to be valid only in the Breit frame, in which the initial and final nuclear systems are treated symmetrically. The matrix element of the electromagnetic current is thus determined in the Breit frame and then transformed into the CM frame (i.e., the rest frame for the final n + p, or initial γ + D, system). In addition, the difference between the resultant $\text{NOIA}\text{GI}$ and the NOIA is determined explicitly in every channel.Numerical results are obtained for the Reid soft-core potential with extensions required for J > 2 scattering states. Our major result is that there is no substantial discrepancy between the θ_p = 0° data of Hughes et al. and the prediction of this formalism. General features of this formalism, including angular distributions at low energies, are discussed in quantitative terms. Other important results at these energies include: (1) the ³F_J(np)-scattering states are found to be important for E_γ ≥ 20 MeV, especially at forward and backward angles (i.e., θ_p ～ 0° or 180°); (2) the meson-exchange currents arising from intermediate isobar |Δ(1232)| propagation, with or without energy transfer effects, are not yet of any numerical significance; and (3) the results exhibit sensitivity to details of final-state interactions.