Copper(II) complexes bearing cyclobutanecarboxylate and pyridine ligands: a new series of dinuclear paddle-wheel complexes

Monatshefte für Chemie - Chemical Monthly - Four members of a new series of paddle-wheel copper(II) complexes bearing cyclobutanecarboxylate as bridging ligand with pyridine derived ligands in...     

Mechanistic Aspects of a Highly Active Dinuclear Zinc Catalyst for the Co‐polymerization of Epoxides and CO2

The dinuclear zinc complex reported by us is to date the most active zinc catalyst for the co‐polymerization of cyclohexene oxide (CHO) and carbon dioxide. However, co‐polymerization experiments with propylene oxide (PO) and CO₂ revealed surprisingly low conversions. Within this work, we focused on clarification of this behavior through experimental results and quantum chemical studies. The combination of both results indicated the formation of an energetically highly stable intermediate in the presence of propylene oxide and carbon dioxide. A similar species in the case of cyclohexene oxide/CO₂ co‐polymerization was not stable enough to deactivate the catalyst due to steric repulsion.     

Convergence of path measures arising from a mean field or polaron type interaction

Summary We discuss the limiting path measures of Markov processes with either a mean field or a polaron type interaction of the paths. In the polaron type situation the strength is decaying at large distances on the time axis, and so the interaction is of short range in time. In contrast, in the mean field model, the interaction is weak, but of long range in time. Donsker and Varadhan proved that for the partition functions, there is a transition from the polaron type to the mean field interaction when passing to a limit by letting the strength tend to zero while increasing the range. The discussion of the path measures is more subtle. We treat the mean field case as an example of a differentiable interaction and discuss the transition from the polaron type to the mean field interaction for two instructive examples.Research supported by the Swiss National Foundation (21-29833.90)This article was processed by the authors using the Springer-Verlag T_EX ProbTh macro package 1991.     

Efficient Collocation Schemes for Singular Boundary Value Problems

We discuss an error estimation procedure for the global error of collocation schemes applied to solve singular boundary value problems with a singularity of the first kind. This a posteriori estimate of the global error was proposed by Stetter in 1978 and is based on the idea of Defect Correction, originally due to Zadunaisky. Here, we present a new, carefully designed modification of this error estimate which not only results in less computational work but also appears to perform satisfactorily for singular problems. We give a full analytical justification for the asymptotical correctness of the error estimate when it is applied to a general nonlinear regular problem. For the singular case, we are presently only able to provide computational evidence for the full convergence order, the related analysis is still work in progress. This global estimate is the basis for a grid selection routine in which the grid is modified with the aim to equidistribute the global error. This procedure yields meshes suitable for an efficient numerical solution. Most importantly, we observe that the grid is refined in a way reflecting only the behavior of the solution and remains unaffected by the unsmooth direction field close to the singular point.