Matrix-Untersuchungen zu monomerem Kupfer(I)-chlorid und seinen Komplexen mit N2 und PN IR-spektroskopische Nachweise und ab-initio Rechnungen

Matrix-Investigations on Monomeric Copper(I) Chloride and its Complexes with N₂ and PN Ligands. IR Spectroscopic Results and ab-initio Calculation In solid argon the reaction of monomeric CuCl with N₂ yields ClCuN₂. On the basis of two absorptions in the ir-spectrum and their corresponding isotopic shifts (_14/15N) and with the help of a normal coordinate analysis, linearity of the molecule has been deduced. These results are confirmed by large scale ab-initio Calculations (CPF, MP2). Reaction of monomeric CuCl with molecular PN under matrix condition is shown to give rise to new absorptions in the IR spectrum which arev assigned to a linear molecule ClCuNP.     

Uniformization and the diversity of Whitehead groups

Techniques of uniformization are used to prove that it is not consistent that the Whitehead groups of cardinality ℵ₁ are exactly the strongly ℵ₁-free groups. Some consequences of the assumption that every strongly ℵ₁-free group of cardinality ℵ₁ is Whitehead are derived. Other results about uniformization are also proved. Research partially supported by NSERC grant #9848. Research partially supported by the BSF. The authors thank Rutgers University for its support. Publication #441.     

Charge-changing cross sections of the neutron-rich isotopes8,9,11Li

Total charge-changing cross sections have been measured for⁸Li on C and Pb targets, for⁹Li on C, Al, Cu, Sn and Pb targets, as well as for¹¹Li on C, Sn and Pb targets at about 80 MeV/nucleon. These data are compared to measured total reaction cross sections and Glauber-type calculations using Hartree-Fock density distributions. These comparisons allow to draw conclusions on the proton density distribution of the neutronrich lithium isotopes. The results show that even for the most exotic nucleus¹¹Li the proton distribution is only very weakly influenced by the long tail in the neutron density distribution already established in several experiments.     

Reactions of the nitrate radical with a series of reduced organic sulphur compounds in air

A 480 L evacuable reaction chamber, equipped with FT-IR spectroscopy on-line and ion chromatography off-line, has been used to study the gas phase reaction between the nitrate radical, NO₃, and the reduced organic sulphur compounds CH₃CH₂SH, (CH₃CH₂)₂S, (CH₃CH₂)₂S₂, and CH₃CH₂SCH₃ in air. The products CH₃CH₂SO₃H, SO₂, H₂SO₄, CH₃CHO, and CH₃CH₂ONO₂ were identified and quantified in the reactions of the first three compounds, CH₃CH₂SH, (CH₃CH₂)₂S, and (CH₃CH₂)₂S₂. The reaction products were CH₃CH₂SO₃H, CH₃SO₃H, SO₂, H₂SO₄, CH₃CHO, and CH₂O in the reaction of CH₃CH₂SCH₃. On the basis of identified reaction products and intermediates observed in the infrared spectra, mechanisms are proposed for the reactions between the NO₃ radical and the four reduced organic sulphur compounds. The results of this study, together with those from previous experiments performed in this laboratory on CH₃SCH₃, CH₃SH, and CH₃SSCH₃ lead to the conclusion that all these species, in the reaction with the NO₃ radical, follow a similar degradation mechanism producing SO₂, H₂SO₄, R? SO₃H, R? CHO, and R? CH₂ONO₂, as the main reaction products. The inital step of the reaction of NO₃ with R? S? R and R? S? H type (R = CH₃, CH₂CH₃) reduced organic sulphur compounds was found to be H-atom abstraction, probably after the formation of an initial adduct. For the reaction between NO₃ and R? S? S? R type compounds, evidence for an addition-decomposition reaction, as the initial steps, was obtained. R? S·, R? S(O)·, and R? S(O)₂· appear to be formed as intermediates in all the reactions. © John Wiley & Sons, Inc.     

Determination of trace elements in bottled water in Greece by instrumental and radiochemical neutron activation analyses

Summary Four different bottled water brands sold in Greece in the winter of 2001-2002 were analyzed for a wide range of chemical elements, using neutron activation analysis (NAA). The elements Na and Br were determined instrumentally (INAA), whereas the other metals and trace elements radiochemically (RNAA). The results indicated that the mean level of all the elements determined in the samples were well within the European Union (EU) directive on drinking water and accomplish the drinking water standards of the World Health Organisation (WHO) as well as of the Food and Drug Administration (FDA).     

Determination of the gamma self-attenuation correction factors using intensity ratios

Summary The possible correlation between the self-attenuation correction in gamma-spectrometric assay of uranyl nitrate samples and spectral line intensity ratios was investigated experimentally and simulated numerically using MCNP code. The characteristic gamma- and X-lines of uranium were measured using a low energy Ge gamma-spectrometer. The simulation results agreed with the experimental data and showed obvious correlation between the self-attenuation correction and the intensity ratios [(185.7 keV)/(143.8 keV), (98.44 keV)/(185.7 keV) and (185.7 keV)/(63.23 keV)]. This correlation greatly simplifies the determination of the self-attenuation correction and reduces the troublesome traditional procedures used to determine this coefficient.     

High-quality hydroxyapatite coating on biocompatible materials by laser-assisted laser ablation method

A new method for high-quality hydroxyapatite (HAp) coating is developed, the laser-assisted laser ablation method. In this method, two lasers are used. One is used for ablation of a HAp target. The other, the assist laser, is used to irradiate a Ti substrate surface. The effects of the assist laser irradiation are to anneal the HAp coating and to improve its adhesive strength to the Ti substrate. The quality of the HAp coating depends on the delay time of the assist-laser irradiation. HAp coatings obtained at a delay time of 10 microseconds or more are more amorphous. It was confirmed that the amorphous part of a coating dissolves in simulated body fluid, while the crystalline part does not. The value of the Ca/P ratio in a coating obtained at a delay time of a few microseconds is close to the stoichiometric value. PACS 81.16.Mk     

蒙特卡罗哈密顿新方案及其检验

蒙特卡罗哈密顿方法(MCH)是研究量子理论的数值模拟新方法, 其优点是可求出超出基态的能谱和波函数. 旧MCH方案需要自由粒子的信息, 较难推广应用于格点规范理论. 本文提出克服这个困难的新方案. 首先介绍这一方案的思想, 并以1维量子力学模型V(x)=μ²x²+λx⁴(其中μ²< 0,λ>0)为例说明实现这一新方案的具体计算步骤和方法.