Quantenchemische Untersuchungen zur Molekül- und Elektronenstruktur einfacher Azomethinimine und verwandter Verbindungen

Quantum Chemical Investigations of the Molecular and Electronic Structure of Simple Azomethine Imines and Related Compounds The molecular and electronic structure of simple azomethinimines are investigated by means of MINDO/3 and CNDO/2 calculations. The calculated molecular geometry is compared with X-ray results obtained for these compounds. Except for the NN-bond lengths MINDO/3 satisfactorily describes the molecular structure of azomethinimine and related π-electronic systems. The charges at the atoms along the conjugated chain are alternating as in polymethines. The terminal carbon atom carries a negative charge. This charge brings about an appreciable shielding of this carbon atom such as found in the ¹³C-n.m.r. spectrum. This result does not contradict a stabilization of azomethinimines in the crystal via = CH…︁OC interactions.     

Low-cost direct writing lithography system for the sub-micron range

Abstract

We have developed a fixed beam direct writing laser lithography system with a minimum feature size of 400nm at 457nm wavelength and a writing speed of 4·2mm/s with total system costs of less than 100 000 US$.     

Intrinsic isotopic C labelling of polyphenols

The intrinsic isotopic labelling of plants with ¹³CO₂ is an effective method to generate highly labelled compounds using photosynthesis and avoiding labour-intensive complex organic syntheses. In this study, the intrinsic isotopic labelling of polyphenols in parsley, spinach and peppermint is shown for the first time. The plants were grown in an atmosphere where ¹²CO₂ was replaced by ¹³CO₂, in order to generate highly labelled compounds. The total content of ¹³C as well as the individual polyphenols were analysed by Isotopic Ratio-MS and HPLC–Iontrap-MSⁿ.     

Filtration effectiveness of HVAC systems at near‐roadway schools

Concern for the exposure of children attending schools located near busy roadways to toxic, traffic‐related air pollutants has raised questions regarding the environmental benefits of advanced heating, ventilation, and air‐conditioning (HVAC) filtration systems for near‐road pollution. Levels of black carbon and gaseous pollutants were measured at three indoor classroom sites and at seven outdoor monitoring sites at Las Vegas schools. Initial HVAC filtration systems effected a 31–66% reduction in black carbon particle concentrations inside three schools compared with ambient air concentrations. After improved filtration systems were installed, black carbon particle concentrations were reduced by 74–97% inside three classrooms relative to ambient air concentrations. Average black carbon particle concentrations inside the schools with improved filtration systems were lower than typical ambient Las Vegas concentrations by 49–96%. Gaseous pollutants were higher indoors than outdoors. The higher indoor concentrations most likely originated at least partially from indoor sources, which were not targeted as part of this intervention.     

Generation of classification trees from variable weighted features

Trees are a useful framework for classifying entities whose attributes are, at least partially, related through a common ancestry, such as species of organisms, family members or languages. In some common applications, such as phylogenetic trees based on DNA sequences, relatedness can be inferred from the statistical analysis of unweighted attributes. The vast majority of mutations that survive across generations are evolutionarily neutral, which means that most genetic differences between species will have accumulated independently and randomly. In these cases, it is possible to calculate the tree from a precomputed matrix of distances. In other cases, such as with anatomical traits or languages, the assumption of random and independent differences does not hold, making it necessary to consider some traits to be more relevant than others for determining how related two entities are. In this paper, we present a constraint programming approach that can enforce consistency between bounds on the relative weight of each trait and tree topologies, so that the user can best determine which sets of traits to use and how the entities are likely to be related.     

Wet-etching of precipitation-based thin film microstructures for micro-solid oxide fuel cells

In micro-solid oxide fuel cells (μ-SOFCs) ceramic thin films are integrated as free-standing membranes on micromachinable substrates such as silicon or Foturan^® glass ceramic wafers. The processing of μ-SOFCs involves unavoidable dry- or wet-chemical etching for opening the substrate below the free-standing fuel cell membranes. In the first part of this paper current dry- and wet-chemical etchants for structuring of ceria-based electrolyte materials are reviewed, and compared to the etch-rates of common μ-SOFCs substrates. Wet-chemical etchants such as hydrofluoric acid are of high interest in μ-SOFC processing since they allow for homogeneous etching of ceria-based electrolyte thin films contrary to common dry-etching methods. In addition, HF acid is the only choice for substrate etching of μ-SOFC based on Foturan^® glass ceramic wafers. Etching of Ce_0.8Gd_0.2O_1.9?x spray pyrolysis electrolyte thin films with 10% HF:H₂O is investigated. The etch-resistance and microstructures of these films show a strong dependency on post deposition annealing, i.e. degree of crystallinity, and damage for low acid exposure times. Their ability to act as a potential etch-resistance for μ-SOFC membranes is broadly discussed. Guidance for thermal annealing and etching of Ce_0.8Gd_0.2O_1.9?x thin films for the fabrication of Foturan^®-based μ-SOFCs is given.     

Influence of Zn2+ doping on the morphotropic phase boundary in lead-free piezoelectric (1 – x)Na1/2Bi1/2TiO3-xBaTiO3

A series of morphotropic phase boundary (MPB) compositions of (1–x)Na_1/2Bi_1/2TiO₃-xBaTiO₃ (x = 0.05, 0.055, 0.06, 0.065, 0.07), with and without 0.5 mol% Zn-doping was synthesized using the solid-state route. The samples were characterized using X-ray diffraction, dielectric analysis, and electromechanical measurements (piezoelectric d₃₃ coefficient, coupling factor k_p, mechanical quality factor Q_m, and internal bias field E_bias). The increase in the ferroelectric-relaxor transition temperature upon Zn-doping was accompanied by a shift of the MPB toward the Na_1/2Bi_1/2TiO₃-rich side of the phase diagram. Higher tetragonal phase fraction and increased tetragonal distortion were noted for Zn-doped (1 – x)Na_1/2Bi_1/2TiO₃-xBaTiO₃. In addition, ferroelectric hardening and the presence of an internal bias field (E_bias) were observed for all doped compositions. The piezoelectric constant d₃₃ and the coupling coefficient k_p decreased by up to ∼30%, while a 4- to 6-fold increase in Q_m was observed for the doped compositions. Apart from establishing a structure–property correlation, these results highlight the chemically induced shift of the phase diagram upon doping, which is a crucial factor in material selection for optimal performance and commercialization.