Studium des gegenseitigen Einflusses der Bindungen in Thiocyanat-Kupfer(II)-Komplexen mit Methyl- und Dimethylpyridinen mittels Infrarotspektroskopie

The infrared spectra of thiocyanato-copper(II) complexes of the type Cu(NCS)₂ L ₂ with all isomeric picolines and lutidines (L) as well as those of the type Cu(NCS)₂ L ₃ withL=3- and 4-picoline, 3,4- and 3,5-lutidine were measured. The behaviour of the (CN) stretching vibrations of the Cu(NCS)₂ L ₂ complexes led to conclusions on the different kind of coordination of the NCS groups in dependence on the ligandL. The mutually conditioned strength of the Cu–NCS and Cu–N(L) bonds in the equatorial plane, especially in the presence of ligandsL with the steric effect, was determined from the frequency shift of the Cu–NCS and Cu–N(L) stretching vibrations with regard to the vibrations for Cu(NCS)₂(pyridine)₂.

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Die Massenspektren der Pyrrolidide einiger aliphatisch-alicyclischer Carbonsäuren

The mass spectra of the pyrrolidides of some long-chain carboxylic acids with alicyclic residues attached to their ω-end are discussed and compared with the spectra of the corresponding esters. Fragmentation triggered by the pyrrolidide group generates a series of peaks, which clearly exhibits the size and the structure of the carbon chain.     

On a new partitioning of the Hamiltonian in many-body calculation of pair-correlation energies in closed-shell systems

We introduce here a new partitioning of the Hamiltonian in calculating pair-correlation energies using many-body perturbation theory, by which we are able to eliminate the off-diagonal particle–hole (p–h) ladders exactly to all orders in the perturbation expansion. In this formulation, the particle states turn out to be different for each distinct pair of hole states in the correlation energy calculation. We have also included the contributions of the diagonal particle–particle (p–p) and hole–hole ladders exactly to all orders. The effect of the off-diagonal p–p ladders has been estimated for each pair by computing the third-, foruth- and fifth-order energies. For highly symmetric systems the present partitioning yields in general symmetry-broken orbitals. Here one may use an average kind of partitioning for all the partners of the degenerate sets, which restores the symmetry and at the same time ensures cancellation of the p–h ladders exactly at the lowest order and approximately at the higher orders. Results are presented for a selection of 6π-electron conjugated systems. The correlation energy for each pair is in excellent agreement with that obtained from a partial CI calculation involving all double excitations from this pair. The advantages of implementing the present scheme in larger systems has been discussed.     

Non relativistic continuum wave functions for two coulomb centres

We give the continuum wave function solutions to the Schrödinger equation for an electron moving field of two point nuclei, as an expansion in terms of one centre Coulomb wave functions in a prolate elliptical coordinate system. These solutions may be chosen to have a convenient asymptotic behaviour, and tend to the conventional solutions of the Helmholtz equation in the limit that the nuclear charge goes to zero. In symmetric systems, where both nuclei have the same charge the angular wave functions are found to be identical with those occurring in the free case, and the expansion coefficients for the corresponding radial solutions are given for selected values of electron energy and nuclear separation.[/p]     

X-ray diffraction and morphology of crystalline,hard, elastic materials

Summary X-ray diffraction and electron microscopic results on several crystalline polymers which demonstrate elastic properties (polypropylene, Celcon^®, poly-4-methyl-pentene) are reported. Photographic small angle X-ray diffraction techniques provided considerable qualitative information, concerning the morphological features of these elastic materials both as extruded, annealed and during extension. Lamellar thickness, thickness distribution and perfection of lamellae could be estimated. Lateral order features and orientation of the lamellar structures were obtainable from the sharpness and length of the equatorial wide angle diffraction arcs. Electron microscopic results essentially confirm the morphological features postulated on the basis of the X-ray results. These morphological features are discussed in terms of a general structural model which appears consistent with the mechanical properties of these materials.

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Zusammenfassung Röntgenbeugung und elektronenmikroskopische Daten von einigen kristallinen Polymerprodukten mit elastischen Eigenschaften (Polypropylen, Celcon, Poly-4-methylpenten) werden berichtet. Die photographische Röntgen-Kleinwinkelmethode liefert wichtige qualitative Messungen der morphologischen Struktur dieser elastischen Materialien in den Zuständen sowohl wie hergestellt als auch nach Tempern und während des Dehnungsprozesses. Die Dicke der Lamellen, ihre Dikkenverteilung und die Güte der Lamellen konnten abgeschätzt werden. Die laterale Ordnung und die Orientierung der Lamellen kann aus Weitwinkelbeugungsdaten abgeleitet werden. Die Elektronenmikroskopie bestätigt die Morphologie, die aus Röntgendaten folgt. Ein allgemeines Strukturmodel dieser Morphologie, das im Einklang mit den mechanischen Eigenschaften dieser Produkte steht, wird diskutiert.

     

Removal of actinides and fission products activity from intermediate alkaline waste using inorganic exchangers

Hydrated iron oxide or amorphous-Fe₂O₃·3.5 H₂O (HFeO), hydrated titanium oxide (HTiO) and hydrated thorium oxide (HThO) were synthesized and their applicability for the decontamination of intermediate level liquid wastes (ILLW) was tested. The sorption of a few actinides like plutonium and americium on HFeO, ¹³⁷Cs and ¹⁰⁶Ru on HTiO and ⁹⁰Sr on HThO was investigated as a function of pH, time and loading capacity of the hydrous oxide with metal ions. The influence of the total dissolved salt content was also monitored. Some of these parameters influenced the sorption behavior significantly. The radiation stability of these inorganic sorbents were studied by irradiating them up to 48 Mrad. Adsorbed actinides and fission products were successfully eluted from HFeO and from the mix-bed of HTiO and HThO by 0.5M nitric acid.The authors wish to thank Shri R. D. Changarani, Chief Superintendent NRG Facilities and Shri P. K. Dey, Head FRD for their valuable advice and constant support.     

Micropolar flow past a stretching sheet

Summary This paper studies the flow of an incompressible, constant density micropolar fluid past a stretching sheet. The governing boundary layer equations of the flow are solved numerically using a globally convergent homotopy method in conjunction with a least change secant update quasi-Newton algorithm. The flow pattern depends on three non-dimensional parameters. Some interesting results are illustrated graphically and discussed.

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Résumé Nous étudions l'écoulement d'un fluid micropolaire et incompressible, de densité constante, le long d'une surface qui l'étend. Les équations de la couche limite qui régissent l'écoulement sont résolues numériquement. On utilise un algorithme quasi-Newtonien de type least change secant update avec une méthode homotopique /`a convergence globale. Certains résultats intéressants sont discutés et illustrés graphiquement.

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This work performed at Sandia National Laboratories supported by the U. S. Department of Energy under contract number DE-AC04-76DP00789.     

Relations between subclasses of greedoids

In previous papers many different classes and constructions of greedoids have been defined and studied. This paper documents inclusion relations among all subclasses of greedoids which are known so far. It will be shown that all inclusion relations are proper and that all but one subclasses of interval greedoids are distinct.

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Zusammenfassung In früheren Arbeiten wurden viele verschiedene Klassen und Konstruktionen für Greedoide eingeführt und studiert. In dieser Arbeit werden alle bekannten Inklusionsbeziehungen zwischen Unterklassen von Greedoiden dokumentiert. Es wird gezeigt, daß alle Inklusionsbeziehungen echt und alle Unterklassen mit einer Ausnahme tatsächlich verschieden sind.

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Supported by the joint research project Algorithmic Aspects of Combinatorial Optimization of the Hungarian Academy of Sciences (Magyar Tudományos Akadémia) and the German Research Association (Deutsche Forschungsgemeinschaft, SFB 21). Part of this research was done while the first author was visiting the Department of Combinatorics and Optimization, University of Waterloo.     

Lösungsmitteleinfluß auf das Redoxverhalten von Bistriphenylphosphinquecksilber(II)-perchlorat

The influence of solvents on the redox behaviour of bistriphenylphosphinomercury perchlorate has been investigated by polarographic, voltammetric and potentiometric methods. The electrode process was found to be reversible in acetonitrile, propylene carbonate, N,N-dimethylformamide and dimethyl sulfoxide. An irreversible process was observed in nitromethane employing the dropping mercury electrode as well as in N,N-dimethylthioformamide and N-methyl-2-thiopyrrolidinone employing the rotating platinum electrode. Half wave potentials and diffusion coefficients have been measured. A linear relationship between theE _1/2 and the donor number (DN) of the solvent has been found for the reversible electrode reactions. Ligand replacement occurs in N,N-dimethylthioformamide and N-methyl-2-thiopyrrolidinone.

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Kristallchemische und mikromorphologische Untersuchungen an Carbonat-Apatiten

Zusammenfassung Zwecks Kristallisation von Carbonat-Apatiten wurden Hydrothermalreaktionen sowie Schmelzvorgänge bei Gemischen von Calciumphosphaten und Calcit untersucht. Die vorliegenden Produkte konnten mit analytischen, kristallchemischen und elektronenmikroskopischen Beobachtungen und Messungen als Einkristalle von Hydroxyl- bzw. Fluorapatit identifiziert werden mit einem Carbonatgehalt, der in der Kristallstruktur eingelagert ist.Mit 4 AbbildungenUnter Mitarbeit vonHelga Schmidt. Vortrag auf der Jahrestagung des Vereins Österreichischer Chemiker, Wien 1962.