Quantum-Chemical Study of the Profiles of Reactions that Form Pyrrole Anion N-Adducts with CS<Subscript>2</Subscript> and CO<Subscript>2</Subscript>

The profiles of reactions leading to pyrrole anion N-adducts with CO₂ and CS₂ have been studied by the ab initio (RHF/6-31+G*, MP2/6-31+G*) and density functional (B3LYP/6-31+G*) methods. Addition of the pyrrole anion to the carbon disulfide molecule is accompanied by the appearance of a minimum corresponding to a pre-reaction complex. The transformation of the complex to the N-pyrrolyldithiocarboxylate anion occurs via a low activation barrier, which is due to repolarization of the C=S bonds. The profile of the reaction leading to the pyrrole anion N-adduct with CO₂ does not contain any intermediate stationary points throughout the whole route from reagents to products.Original Russian Text Copyright © 2004 by V. B. Kobychev, N. M. Vitkovskaya, I. L. Zaitseva, and B. A. Trofimov__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 6, pp. 990–993, November–December, 2004.     

Spectroscopic investigation of the Dergaon meteorite with reference to 10 μm and 20 μm bands

Analysis of a part of the meteorite which fell at Dergaon (India) on March 2, 16.40 local time (2001) is presented with the help of FTIR, absorption and atomic spectra. The FTIR spectrum exhibits prominent absorption bands in the region 800–1100 cm⁻¹, originating from the valence vibration of SiO⁴, a basic component of the silicate lattice.     

Crystallographic report: Crystal structure of 1‐bromo‐1′‐[(2S)‐N‐(1‐hydroxy‐3‐methylbutane‐2‐yl)]‐ferroceneamide

For the unsymmetrical title compound, 1‐bromo‐1′‐[(2S)‐N‐(1‐hydroxy‐3‐methylbutane‐2‐yl)]‐ferroceneamide, two independent molecules were found in the asymmetric unit. Copyright © 2003 John Wiley & Sons, Ltd.     

Spectral characteristics of a microwave radar signal backscattered by the sea surface at small incidence angles

We present a theoretical analysis of the Doppler-spectrum properties of a microwave radar signal scattered by the sea surface at small incidence angles. The dependences of Doppler-spectrum width and shift on the wind velocity and wave development stage and their azimuthal dependence are analyzed. The case of mixed sea (wind wave plus swell) is also considered. The JONSWAP spectrum model is used to describe sea waves. The study shows that Doppler-spectrum parameters are sensitive to variation of sea-surface state; for example, for the case of developed sea waves, an increase in wind velocity by 1 m/sec leads to increases in the Doppler-spectrum width and shift by 15 Hz and 3 Hz, respectively. It is shown that for the case of a moving radar the Doppler spectrum remains sensitive to variation of sea- surface state with a sufficiently narrow radar directivity pattern. Estimates show that in the case of a single sea- wave system on the surface, using Doppler-spectrum parameters we can, in principle, determine wave type (developing wind wave, developed wind wave, or swell), dominant wavelength, wave propagation direction, and wave height; wind velocity, direction, and acceleration distance can be determined for wind waves.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Radiofizika, Vol. 39, No. 5, pp. 517–526, May, 1996.This paper was supported by the Russian Foundation for Fundamental Research (project 93-02-15892).     

The Value of Bernoulli Polynomials at Rational Numbers

We give a short elementary proof of a result of Almkvist andMeurman [1] on an integrality property of the values taken bythe Bernoulli polynomials at a rational number. We use a lemmaon the divisibility properties of certain binomial coefficientswhich seems to be of independent interest.