Synthesis,Electronic Properties and WOLED Devices of Planar Phosphorus‐Containing Polycyclic Aromatic Hydrocarbons

We describe the synthesis and the physical properties of polyaromatic hydrocarbons (PAHs) containing a phosphorus atom at the edge. In particular, the impact of the successive addition of aromatic rings on the electronic properties was investigated by experimental (UV/Vis absorption, fluorescence, cyclic voltammetry) and theoretical studies (DFT). The physical properties recorded in solution and in the solid state showed that the P‐containing PAHs exhibit properties expected for an emitter in white organic light‐emitting diodes (WOLEDs).     

Direct C–H arylation of 3-methoxythiophene catalyzed by Pd. Application to a more efficient synthesis of π-alkoxy-oligothiophene derivatives

The direct regioselective C–H arylation of 3-methoxythiophene and 3,4-ethylenedioxythiophene (EDOT) was performed successfully under ‘Heck-type’ experimental conditions. This novel synthetic methodology has been used to prepare in a more simple way a series of oligothiophenes interesting for the electronic industry to build new synthetic organic materials.     

An improved On-Surface Radiation Condition for acoustic scattering problems in the high-frequency spectrum

This Note addresses the derivation of an improved On-Surface Radiation Condition for the numerical solution of the exterior Helmholtz equation at high-frequencies. This condition is built as an approximation of the Neumann-to-Dirichlet map by using a local regularization of its principal classical symbol in the gliding zone for modelling the creeping waves. The numerical simulation of this pseudodifferential operator is efficiently realized with a linear cost according to the dimension of the boundary element approximation space using suitable complex Padé approximants. A numerical example is provided. To cite this article: X. Antoine et al., C. R. Acad. Sci. Paris, Ser. I 340 (2005).     

LES of turbulent heat transfer: proper convection numerical schemes for temperature transport

Large eddy simulations of two basic configurations (decay of isotropic turbulence, and the academic plane channel flow) with heat transfer have been performed comparing several convection numerical schemes, in order to discuss their ability to evaluate temperature fluctuations properly. Results are compared with the available incompressible heat transfer direct numerical simulation data. It is shown that the use of regularizing schemes (such as high order upwind type schemes) for the temperature transport equation in combination with centered schemes for momentum transport equation gives better results than the use of centred schemes for both equations. Copyright © 2004 John Wiley & Sons, Ltd.     

Packing two disks into a polygonal environment

We consider the following problem. Given a polygon P, possibly with holes, and having n vertices, compute a pair of equal radius disks that do not intersect each other, are contained in P, and whose radius is maximized. Our main result is a simple randomized algorithm whose expected running time, on any input, is O(nlogn). This is optimal in the algebraic decision tree model of computation.     

The number of commutative semigroups of order N

An explicit upper bound is given for the number of commutative semigroups withn elements.     

Computing Finite Semigroups, I: The First Row

New precedence results are obtained for finite, not necessarily commutative semigroups, which are used to further sharpen existing algorithms for the computation of finite semigroups. The results in this first part describe the first row of the multiplication table in detail and provide a numerical profile with which it can be compared to other rows.     

Ehrenfest's theorem reinterpreted and extended with Wigner's function

For a wave packet evolving quantum mechanically, the rates of change of the expectations and uncertainties of the position and momentum are exactly the same as if Wigner's function instantaneously obeyed a classical Liouville equation (whatever the Hamiltonian). This extension of Ehrenfest's theorem should be useful for dealing with the evolution and manipulation of quantum states.