Expedient synthesis of substituted imidazoles from nitriles

Expedient and practical new methodology for the synthesis of substituted imidazoles was developed to provide a rapid access to a variety of 2-substituted, 1,2-disubstituted and 1,2,4-trisubstituted imidazoles by the direct CuCl-mediated reaction of nitriles with α-amino acetals in an intermolecular as well as intramolecular fashion.     

Massenspektrometrie isomerer Diazaphenanthrene—I

The mass spectra of five diazaphenanthrenes formed by photochemical cyclodehydrogenation of styryl diazines are investigated. It is shown that fragmentation of these compounds starts almost exclusively at the heterocyclic part of the molecule and proceeds by competitive α-cleavage. From the intensity ratios of the ions [M ? H˙]⁺, [M ? HCN]⁺˙, [M ? N₂]⁺˙ and [M ? 2 HCN]⁺˙ generated in this way, each isomer can unequivocally be identified.     

Analysis of dinitrofluoranthenes by high resolution capillary gas chromatography/mass spectrometry

This paper reports the retention indices of eighteen of the possible twenty-five dinitrofluoranthene isomers.     

Exponentially fitted symplectic methods for the numerical integration of the Schrödinger equation

The computation of the energy eigenvalues of the one-dimensional time-independent Schrödinger equation is considered. Exponentially fitted and trigonometrically fitted symplectic integrators are obtained, by modification of the first and second order Yoshida symplectic methods. Numerical results are obtained for the one-dimensional harmonic oscillator and Morse potential.AMS subject classification: 65L15Funding by research project 71239 of Prefecture of Western Macedonia and the E.U. is gratefully acknowledged.     

Lifetime of the 4D 3/2 and 4D 5/2 metastable states in Sr II

Sr⁺ ions were confined in a r.f. quadrupole trap for times of the order of 30 min. The metastable 4D states were populated via laser excitation of the 5P states. The weak quadrupole transition rate into the 5S _1/2 ground state at 674 and 687 nm was deduced from observation of the exponential decay. At background pressures above 10^?7 mbar the radiative decay is dominated by collisional quenching. Extrapolation of the observed decay rate to zero background pressure yields the radiative lifetimes. At pressures around 10^?6 mbar fine structure mixing collisions between the 4D states have been observed, which lead to corrections of the extrapolated lifetimes. As the final result we obtain 395±38 ms for 4D _3/2 and 345±33 ms for 4D _5/2. These results are somewhat higher than theoretical predictions.     

On the average length of lexicographic paths

A bound is given for the average length of a lexicographic path, a definition that is motivated by degeneracies encountered when using the randomized simplex method.     

Effective moment of inertia in132Ce,134Nd and136Nd

The effective moment of inertiaI _eff ⁽²⁾ of¹³²Ce,¹³⁴Nd and¹³⁶Nd produced in⁴⁰Ar induced reactions has been deduced from continuumγ-ray spectra measured by sum spectrometer methods. Results concerning the deformation of these nuclei are obtained by comparison of the experimental data and calculations in the frame of a cranking Nilsson — Strutinsky model.     

Simulation of water cluster assembly on a graphite surface

The assembly of small water clusters (H2O)n, n = 1-6, on a graphite surface is studied using a density functional tight-binding method complemented with an empirical van der Waals force correction, with confirmation using second-order M?ller-Plesset perturbation theory. It is shown that the optimized geometry of the water hexamer may change its original structure to an isoenergy one when interacting with a graphite surface in some specific orientation, while the smaller water cluster will maintain its cyclic or linear configurations (for the water dimer). The binding energy of water clusters interacting with graphite is dependent on the number of water molecules that form hydrogen bonds, but is independent of the water cluster size. These physically adsorbed water clusters show little change in their IR peak position and leave an almost perfect graphite surface.