Atomic-scale structure of dislocations revealed by scanning tunneling microscopy and molecular dynamics

The intersection between dislocations and a Ag(111) surface has been studied using an interplay of scanning tunneling microscopy (STM) and molecular dynamics. Whereas the STM provides atomically resolved information about the surface structure and Burgers vectors of the dislocations, the simulations can be used to determine dislocation structure and orientation in the near-surface region. In a similar way, the subsurface structure of other extended defects can be studied. The simulations show dislocations to reorient the partials in the surface region leading to an increased splitting width at the surface, in agreement with the STM observations. Implications for surface-induced cross slip are discussed.     

New oxidative transformations of phenolic and indolic oxazolines: an avenue to useful azaspirocyclic building blocks

The oxidative cyclization of a phenolic amide to a spirolactam has long been regarded as an "impossible" reaction, because exposure of the substrates to a variety of oxidants results in formation of spirolactones with consequent loss of the amine segment. We recently communicated that this heretofore unknown transformation may be achieved by oxidation of oxazoline analogues of phenolic and indolic amides. Herein, we provide full details of our work.     

Nickel-Assisted Carbon-Fluorine Bond Activation of 2,4,6-Trifluoropyrimidine: Synthesis of New Pyrimidine and Pyrimidinone Derivatives

Rapid and regioselective activation of the C-F bond of 2,4,6-trifluoropyrimidine occurs on reaction with [Ni(cod)(2)] (cod=1,5-cyclooctadiene) in the presence of PEt(3) to give 1, which can be converted into complex 2, containing a further N(3)-metalated pyrimidin-4-one unit. The novel pyrimidin-4-one 3 is released on protonation of 2.     

Spectral properties of dissipative chaotic quantum maps

I examine spectral properties of a dissipative chaotic quantum map with the help of a recently discovered semiclassical trace formula. I show that in the presence of a small amount of dissipation the traces of any finite power of the propagator of the reduced density matrix, and traces of its classical counterpart, the Frobenius-Perron operator, are identical in the limit of variant Planck's over 2pi -->0. Numerically I find that even for finite variant Planck's over 2pi the agreement can be very good. This holds in particular if the classical phase space contains a strange attractor, as long as one stays clear of bifurcations. Traces of the quantum propagator for iterations of the map agree well with the corresponding traces of the Frobenius-Perron operator if the classical dynamics is dominated by a strong point attractor. (c) 1999 American Institute of Physics.     

Valence bands of silver halides determined by X-ray and UV photoemission

Photoemission from AgCl, AgBr, and AgI has been studied at photon energies hω = 16.8, 21.2, 26.9, 40.8, 48.4 and 1486.6 eV. By exploiting the strong     

Arch?ometrische Untersuchungen von r?mischen Ziegeln und Wandplatten

Zusammenfassung Am Beispiel von Ziegel- und Wandplattenbruchstücken einer römischen Wüstung bei Schwarzenholz (Saarland) wird die Auswertung der Analysendaten und der Ergebnisse von Schnittbetrachtungen vorgestellt. Als geeignete Analysenverfahren erweisen sich die Röntgenfluorescenzanalyse und die Atomabsorptionsspektralanalyse. Mit Hilfe der Taxometrie gelingt eine Einteilung der Bruchstücke in die Gruppen Örtliches Material, Blickweiler und Gestempeltes Material. Die Untersuchungsergebnisse gestatten die Bestimmung des mengenmäßigen Anteils verschiedener Produktionen für einen Fundplatz und erlauben somit dem Archäologen Aussagen über wirtschaftliche Zusammenhänge.Für finanzielle Unterstützung danken wir der Stiftung Volkswagenwerk, Hannover.     

Displacement substoichiometric separations in radioanalytical chemistry

The principle of displacement substoichiometry and the possibilities of its practical use have been outlined. The substoichiometric separation of lead, arsenic, and zinc can be carried out by applying diethyldithiocarbamate complexes and solvent extraction.