Charge Transfer and Chemical Hardness along a Substitution Path in Metastable Au‐Sb Alloys

In the present study the synthesis of metastable alloys of the noble metal Au and the semimetal Sb is realized by using high pressure techniques. The influence of Au on bulk Sb is shown experimentally by stepwise substitution. In addition to the effect of the most electronegative noble metal on Pauling's scale in the binary Au‐Sb phases, some ternary compounds with In, Sn, As, and Te in addition to Au and Sb are discussed. The experiments are planned to obtain a better knowledge on the reasons for building up a simple cubic Sb partial lattice, and their crystallographic results are used to construct model structures for new electronic structure calculations from first principles on the metastable π‐phases. Using the LCAO‐CO ansatz and density‐functional methods, we study total energies, band structures, densities of states and charge transfer properties according to Bader's method by integrating zero flux surfaces. Finally, from electronic band structure analysis, the quantities “chemical potential” μ, and “chemical hardness”, η, are derived according to the original ideas of Pearson and Parr and are applied to solid state problems using special points of the Brillouin zones within a band structure approximation for the first time. The results are shown to support the experimental findings about the substitution path within the system Au‐Sb.     

Quantum States and Hardy’s Formulation of the Uncertainty Principle: a Symplectic Approach

We express the condition for a phase space Gaussian to be the Wigner distribution of a mixed quantum state in terms of the symplectic capacity of the associated Wigner ellipsoid. Our results are motivated by Hardy’s formulation of the uncertainty principle for a function and its Fourier transform. As a consequence we are able to state a more general form of Hardy’s theorem. The authors were supported under the EU-project MEXT-CT-2004-51715.     

A Sturm–Liouville problem depending rationally on the eigenvalue parameter

We consider the Sturm–Liouville problem (1.1) and (1.2) with a potential depending rationally on the eigenvalue parameter. With these equations a λ ‐linear eigenvalue problem is associated in such a way that L₂‐solutions of (1.1), (1.2) correspond to eigenvectors of a linear operator. If the functions q and u are real and satisfy some additional conditions, the corresponding linear operator is a definitizable self‐adjoint operator in some Krein space. Moreover we consider the problem (1.1) and (1.3) on the positive half‐axis. Here we use results on the absense of positive eigenvalues for Sturm–Liouville operators to exclude critical points of the associated definitizable operator. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Kolloidchemisches über die Jodgerbung des chirurgischen Katgut bei der Jodbehandlung des Rohdarms vor dem Drehen

Ohne Zusammenfassung     

ROMP based photoinitiator‐coinitiator systems with improved migration stability

Nowadays, migration stability is one of the key features for photoinitiators used in radiation curable formulations, especially when the material is in contact with food or the human body. Herein, the synthesis and characterization of statistical copolymers with covalently bound eosin and/or ethyl dimethylamino benzoate units by ring opening metathesis polymerization is presented. The prepared compounds were tested as macroinitiators for the photopolymerization of acrylates aiming at an initiator/coinitiator system which combines good polymerization activity with improved migration stability. An acrylate modified eosin derivative which is incorporated into the polymer network during the photopolymerization reaction and, therefore, less likely to leak from the polymer compound was used as reference. Photoinitiating activities of low and high molecular weight initiators and coinitiators were investigated by photo‐DSC. Moreover, leakage studies and viability tests with osteoblast‐like cells were performed to proof the suitability of this concept. The use of polymeric eosin in combination with a low molecular weight coinitiator was found to be a good compromise when aiming at a photoinitiating system with sound performance and improved migration stability. © 2008 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 3648–3661, 2008     

Sturm-Liouville operators with indefinite weight functions and eigenvalue depending boundary conditions

We consider a class of boundary value problems for Sturm-Liouville operators with indefinite weight functions. The spectral parameter appears nonlinearly in the boundary condition in the form of a function τ which has the property that λ?λτ(λ) is a generalized Nevanlinna function. We construct linearizations of these boundary value problems and study their spectral properties.     

H2O adsorption on Ni(100): Evidence for oriented water dimers

H₂O adsorption on clean Ni(110) surfaces at T ≦ 150 K leads at coverages below $\text{θ ? 0.5}$ to the formation of chemisorbed water dimers, bound to the Ni substrate via both oxygen atoms. The linear hydrogen bond axis is oriented parallel to the [001] surface directions. With increasing H₂O coverage $\text{(θ ≧ 0.5)}$, the accumulation of further hydrogen bonded water molecules induces some modification of the dimer configuration, producing at $\text{θ ? 1}$ a two-dimensional hydrogen bonded network with a slightly distorted ice lattice structure and long range order.