Trovacenchemie. 13 [1] Weg und Irrweg zu Di([5]trovacenyl)keton

Trovacene Chemistry. 13 [1] On Being Lead and Mislead in the Synthesis of Di([5]trovacenyl)ketone Di([5]trovacenyl)ketone ( 3¨ ) has been prepared from lithio‐[5]trovacene and dimethylcarbamoyl chloride and studied by X‐ray diffraction, cyclic voltammetry, magnetic susceptometry and EPR spectroscopy. Slight variation of the synthetic protocol affords an unusual trinuclear complex 5 ? that is also fully characterized. Spin‐spin exchange interaction is smaller in 3¨ than in 1,1‐di([5]trovacenylethene ( 2¨ ), which differs from 3¨ by a replacement of O for CH₂. The novel trinuclear complex 5 ? , however, displays exchange coupling very similar to that observed in 1‐methoxy‐2,5,6‐tri([5]trovacenyl)benzene ( 7 ? ). In both cases, an unsymmetrical triangular arrangement of S = 1/2 centers is encountered. These findings are discussed in terms of the nature of the respective spacers.     

A Smplified Method for the Computation of Correlation Effects on the Band Structure of Semiconductors

We present a simplified computational scheme in order to calculate the effects of electron correlations on the energy bands of diamond and silicon. By adopting a quasiparticle picture we compute first the relaxation and polarization effects around an electron set into a conduction-band Wannier orbital. This is done by allowing the valence orbitals to relax within a self-consistent field (SCF) calculation. The diagonal matrix element of the Hamiltonian leads to a shift of the center of gravity of the conduction band while the off-diagonal matrix elements result in a small reduction of the conduction-electron bandwidth. This calculation is supplemented by the computation of the loss of ground-state correlations due to the blocked Wannier orbital into which the added electron has been placed. The same procedure applies to the removal of an electron, i.e., to the valence bands. But the latter have been calculated previously in some detail and previous results are used to estimate the energy gap in the two materials. The numerical data reported here show that the methods works, in principle, but that some extension of the scheme is also necessary to obtain fully satisfactory results.Dedicated to J.-P. Malrieu on the occasion of his 60th birthday     

The fractal structure of nanocomposition polymer-silica sorbents for chromatography

The hydrolytic polycondensation of tetraethoxysilane in the presence of various polymers (polyacrylonitrile, polycaproamide, and chitosan) as templates was performed with the use of the sol-gel technology to obtain nanohybrid composite polymer-silica sorbents-nanofractals.     

Three-body problem in the theory of the dielectric constant

We study the corrections to the Clausius-Mossotti formula for the dielectric constant of a disordered system of polarizable spherical particles. Previously we have derived an exact cluster expansion for the correction terms. Here we study the three-body correction in detail. We derive an explicit expression for the integrand of the three-body cluster integral for a system of polarizable point dipoles.     

Normal Bundles to Laufer Rational Curves in Local Calabi–Yau Threefolds

We prove a conjecture by F. Ferrari. Let X be the total space of a nonlinear deformation of a rank two holomorphic vector bundle on a smooth rational curve, such that X has trivial canonical bundle and has sections. Then the normal bundle to such sections is computed in terms of the rank of the Hessian of a suitably defined superpotential at its critical points.     

Stability of Crystalline Ion Beams

Hyperfine Interactions - In this paper, the conditions for which three-dimensional crystalline ion beams were attained in the rf quadrupole storage ring PALLAS at a velocity of around 2800 m/s are...     

Stratifiable Families of Extremals and Sufficient Conditions for Optimality in Optimal Control Problems

It is shown that, if a parametrized fämily of extremals F can be stratified in a way compatible with the flow map generated by F, then those trajectories of the family which realize the minimal values of the cost in F are indeed optimal in comparison with all trajectories which lie in the region R covered by the trajectories of F. It is not assumed that F is a field covering the state space injectively. As illustration, an optimal synthesis is constructed for a system where the flow of extremals exhibits a simple cusp singularity.