Micellar effect in hydroformylation of high olefin catalysed by water-soluble rhodium complexes associated with sulfonated diphosphines

High linear alkenes (1-octene and 1-decene) have been hydroformylated using water-soluble rhodium complexes associated with sulfonated diphosphines in the presence of ionic surfactants or methanol. In all cases, the hydroformylation activities were higher than in experiments without additives. The selectivity in aldehydes was higher when we used cetyltrimethylammonium hydrogensulfate (CTAHSO₄) as the surfactant or methanol as the co-solvent.     

Infinite dimensional duality and applications

The usual duality theory cannot be applied to infinite dimensional problems because the underlying constraint set mostly has an empty interior and the constraints are possibly nonlinear. In this paper we present an infinite dimensional nonlinear duality theory obtained by using new separation theorems based on the notion of quasi-relative interior, which, in all the concrete problems considered, is nonempty. We apply this theory to solve the until now unsolved problem of finding, in the infinite dimensional case, the Lagrange multipliers associated to optimization problems or to variational inequalities. As an example, we find the Lagrange multiplier associated to a general elastic–plastic torsion problem.     

High-order harmonic generation with a strong laser field and an attosecond-pulse train: The Dirac-Delta comb and monochromatic limits

In recent publications, it has been shown that high-order harmonic generation can be manipulated by employing a time delayed attosecond-pulse train superposed to a strong, near-infrared laser field. It is an open question, however, which is the most adequate way to approximate the attosecond-pulse train in a semianalytic framework. Employing the strong-field approximation and saddle-point methods, we make a detailed assessment of the spectra obtained by modeling the attosecond-pulse train by either a monochromatic wave or a Dirac-Delta comb. These are the two extreme limits of a real train, which is composed by a finite set of harmonics. Specifically, in the monochromatic limit, we find the downhill and uphill sets of orbits reported in the literature, and analyze their influence on the high-harmonic spectra. We show that, in principle, the downhill trajectories lead to stronger harmonics, and pronounced enhancements in the low plateau region. These features are analyzed in terms of quantum interference effects between pairs of quantum orbits, and compared to those obtained in the Dirac-Delta limit.     

Task Specific Onium Salts and Ionic Liquids as Soluble Supports in Grieco ’s Multicomponent Synthesis of Tetrahydroquinolines

In this work was presented an application of the use of task specific onium salts (TSOSs) as soluble supports in Grieco’s multicomponent synthesis of tetrahydroquinolines. These soluble supports are of wide applicability and combine advantages of solid phase synthesis without its limitations with those of solution phase chemistry. After a simple washing step, products were cleaved from the supports and obtained in pure form and good yields.     

On the approximation of convex functions by Bernstein-type operators

As a consequence of Jensen's inequality, centered operators of probabilistic type (also called Bernstein-type operators) approximate convex functions from above. Starting from this fact, we consider several pairs of classical operators and determine, in each case, which one is better to approximate convex functions. In almost all the discussed examples, the conclusion follows from a simple argument concerning composition of operators. However, when comparing Szász-Mirakyan operators with Bernstein operators over the positive semi-axis, the result is derived from the convex ordering of the involved probability distributions. Analogous results for non-centered operators are also considered.     

Generators of some Ramanujan formulas

In this paper we prove some Ramanujan type formulas for 1/π but without using the theory of modular forms. Instead we use the WZ—method created by H. Wilf and D. Zeilberger and find some hypergeometric functions in two variables which are second components of WZ—pairs than can be certified using Zeilberger's EKHAD package. These certificates have an additional property which allows us to get generalized Ramanujan's type series which are routinely proven by computer. We call these second hypergeometric components of the WZ—pairs generators. Finding generators seems a hard task but using a kind of experimental research (explained below), we have succeeded in finding some of them. Unfortunately we have not found yet generators for the most impressive Ramanujan's formulas. We also prove some interesting binomial sums for the constant 1/π². Finally we rewrite many of the obtained series using pochhammer symbols and study the rate of convergence. 2000 Mathematics Subject Classification Primary—33C20     

Theoretical study on the structures and electronic spectra of TCNE2-.

Investigations into the charge-separated states and electron-transfer transitions in tetracyanoethylene (TCNE) complexes have recently generated much interest. In this work we present theoretical calculations showing that the most stable structure of the dianion TCNE2- has D2d symmetry in vacuum as well as in the solvents dichloromethane and acetonitrile. By means of the coupled cluster linear response, we compute the vertical electronic spectrum in both the gas phase and solution. The theoretical results are compared to the experimental data and good agreement is achieved.     

Iterative methods and high-order difference schemes for 2D elliptic problems with mixed derivative

We derive a fourth-order compact finite difference scheme for a two-dimensional elliptic problem with a mixed derivative and constant coefficients. We conduct experimental study on numerical solution of the problem discretized by the present compact scheme and the traditional second-order central difference scheme. We study the computed accuracy achieved by each scheme and the performance of the Gauss-Seidel iterative method, the preconditioned GMRES iterative method, and the multigrid method, for solving linear systems arising from the difference schemes.     

Lower bounds for transition probabilities on graphs

The paper presents two results. The first one provides separate conditions for the upper and lower estimates of the distribution of the time of exit from balls of a random walk on a weighted graph. The main result of the paper is that the lower estimate follows from the elliptic Harnack inequality. The second result is an off-diagonal lower bound for the transition probability of the random walk.