Multipole-Bound Molecular Negative Ions

 Within the framework of a simple electrostatic model, as compared to recent experimental results, we here discuss the stability of very weakly bound molecular negative ions. In contrast with the case of conventional valence anions, the excess electron is then located in a very diffuse orbital and is mainly bound by electrostatic dipolar, quadrupolar, and polarization forces, at large distances from the neutral molecular core. By fitting a single repulsion parameter of the model to the available experimental data, it is possible to make quantitative predictions of the excess-electron binding energies in these species. Critical values of the dipole moment, quadrupole moment or polarizability required for the observation of stable multipole-bound negative ions are predicted and compared to available experimental data and ab initio calculations. Received October 24, 2001; accepted for publication November 16, 2001     

A globally convergent multi-grid algorithm for moving boundary problems of two-phase Stefan type

In this paper we deal with the numerical solution of movingboundary problems of two-phase Stefan type. Based on an implicitdiscretization in time and the use of continuous, piecewiselinear finite elements in the space variables with respect tothe weak formulation of the problem, a globally convergent multi-gridalgorithm is developed. That algorithm strongly relies on thevariational characterization of the fully discretized problemas the unconstrained minimization of a subdifferentiable convexobjective functional. Numerical results indicate a significantimprovement in efficiency compared with previous multi-gridapproaches.     

Adaptation of an echelle spectrograph to a large CCD detector

A broad range echelle spectrograph with a CCD matrix detector is developed for different applications in atomic spectroscopy. The compact optical design in combination with a dispersive entrance slit illumination offers a low stray light level and high throughput in the UV spectral region comparable only with spectrographs of higher focal length. Ray tracing calculations for typical wavelengths and the multi-line spectrum of an iron arc show the excellent overall spectrum quality. The subtraction of two partial spectra of different steel alloys demonstrates the spectra evaluation possibilities of the CCD spectrograph.     

TLC-screening of important pharmaceutical substances using fluorescence detection

Summary Observation of fluorescence reactions on TLC plates is a valuable additional tool within the scope of screening procedures for many toxicologically relevant substances commonly encountered in clinical- and forensic-toxicological analysis. The reactions are based on native fluorescence without any treatment and on reactions obtained with an approved derivatization procedure. Due to the enormous sensitivity of the fluorescence detection, the method is also applicable to very low concentrations and small amounts of biological materials. The procedures described in this article have proven their high pragmatic usefulness in many practical cases.Dedicated to Professor Dr. Wilhelm Fresenius on the occasion of his 80th birthday     

Crossing of shears bands in196Pb

High-spin states in¹⁹⁶Pb have been populated using the reaction¹⁷⁰Er(³⁰Si,4n). The previously observed shears bands in this nucleus have been extended and some of their transitions have been reordered. They now form regular bands with band crossings. One of the bands splits into two pathways at high spin.     

Reaction field model with free volume for the NMR chemical shift of129Xe dissolved in organic solvents

The temperature dependence of the NMR chemical shift of¹²⁹Xe dissolved in liquid alkanes is examined in the context of the reaction field model. An essential feature of the theory is the inclusion of the temperature dependence of the density of thesolvent. The theory of free volume for liquids is incorporated into the reaction field model to account for this temperature dependence. Comparison of the theory with previously reported measurements indicates the sensitivity of the¹²⁹Xe chemical shift to the free volume of liquids. Incorporation of free volume improves the agreement between measurement and theory for branched alkane solvents, and resolves the origin of the 62 ppm intercept in the plot of reaction field as a function of¹²⁹Xe chemical shift for the n-alkanes.     

Hyperbolic stefan problem in a curvilinear sector

The problem with unknown boundaries for a first-order semilinear hyperbolic system is studied in the case where the curve of definition of the initial conditions degenerates to a point. An existence and uniqueness theorem for a classical solution of the problem is proved for small t.     

Turbulence modelling of the shear layers in the trailing edge region of a modern rear-loaded airfoil at incidence

After carefull analysis in a turbulent zero-pressure gradient flow, various simple algebraic turbulence models were applied to the almost separated flow on the upperside of an airfoil at incidence. The Johnson-King and Horton non-equilibrium (or rate equation) models give clearly improved results.     

Hybrid organosilazane/organosilylamine telechelic oligomers—I. Two-dimensional NMR spectroscopy characterization of dimethylsilylethylenediamine oligomers

The detailed characterization of multifunctional hybrid organosilazane/organosilylamine telechelic oligomers by IR and ¹H, ¹³C and ²⁹Si NMR spectroscopy in one and two dimenions has been undertaken. The specific multifunctional oligomers, comprising NH/NH₂ or SiCl functionalities depending on the monomer feed-ratio, were prepared from mono- and di-functionally reacted dichlorodimethylsilane (DDS) and mono-, di-, tri- and tetra-functionally reacted ethylenediamine (EDA). Varying the feed-ratio afforded control of the microstructures of the oligomers and the preparation of oligomers with, in some cases, conterminously located silicon–chlorine (SiCl) groups. The combination of the NMR methods with the IR technique has enabled the detailed microstructural characterization of the oligomers and the identification of the functionalities therein. This approach and the knowledge gained from the DDS/EDA system has been applied to the microstructural characterization of other hybrid organosilazane/silylamine preceramic telechelic oligomers.     

Measurement of intense microwave field patterns using a neon glow indicator lamp

A novel method using small neon glow lamps with electrodes is developed for measuring intense microwave field patterns. When the lamp axis coincide with the electric field direction, the lamp discharge starts at the feeblest microwave electric field strength. Therefore, the lamp axis shows the field direction and the discharge starting indicates the field strength. The field strength for starting the microwave discharge is less than the strength for AC discharge, because of its low loss discharge mechanism. In the experiments using a microwave oven, it has been demonstrated again comparing with the simulated results that the method is able to use for measuring the intense electric field strength and direction.