2‐Amino‐4‐chloro‐6‐[N‐methyl‐N‐(4‐methylphenyl)amino]pyrimidine: formation versus fragmentation of hydrogen‐bonded chains of edge‐fused R22(8) rings in 4,6‐disubstituted 2‐aminopyrimidines

Molecules of the title compound, C₁₂H₁₃ClN₄, are linked by two independent N—H...N hydrogen bonds into a chain of edge‐fused R₂²(8) rings. The significance of this study lies in its attempt to rationalize the patterns of supramolecular aggregation in the title compound and in a range of analogous 4,6‐disubstituted 2‐aminopyrimidines.     

Doping of KDP single crystals with cerium: Growth and optical properties

The features of doping of KDP crystals with cerium ions and organocerium complexes with alizarin complexon and arsenazo III have been investigated. It is established that “direct” doping by introducing cerium salts into the initial solution cannot be implemented. The effect of organometallic complexes of cerium on the crystal growth has been studied. Organocerium complexes predominantly enter the prismatic or pyramidal growth sectors. It is shown that the complex arsenazo III + Ce blocks the growth of the prismatic sector. Cerium-doped KDP crystals exhibit a photoluminescence band peaking at the wavelength λ_max= 350 nm.     

An analysis of migration paths of Li+ cations in ternary oxygen-containing compounds Li p X q O r

A new method was developed for studying voids and channels in crystal structures based on the Voronoi-Dirichlet partition of crystal space, and 822 structurally characterized ternary compounds Li ^p X ^q O ^r were analyzed for the first time. For these compounds, the dimensionality was determined and the migration patterns of channel systems capable of providing lithium-ion transport were constructed. The calculated coordinates of lithium atoms in the centers of the voids are consistent (within 0.4 ?) with the known structural data. Among these compounds, 113 compounds have infinite channel systems, 60 compounds (18 structural types, STs) have been described earlier in the literature as solid electrolytes, and 53 compounds (23 STs) can be considered as potential one-, two-, or three-dimensional ionic conductors (13, 3, and 7 STs, respectively). Original Russian Text ? N.A. Anurova, V.A. Blatov, G.D. Ilyushin, O.A. Blatova, A.K. Ivanov-Shitz, L.N. Dem’yanets, 2008, published in Kristallografiya, 2008, Vol. 53, No. 6, pp. 987–993.     

Multi-mode wave propagation in ribbed plates: Part I,wavenumber-space characteristics

This paper addresses the issue of energy propagation features in ribbed panels over a wide frequency range. First, a tool for estimating the wave propagation characteristics of one- and two-dimensional structures by k-space analysis is presented. This tool uses a concept of Inhomogeneous Wave Correlation with sparse measured or extracted data, and leads to the estimation of θ-dependent wavenumbers. Here, the method is employed with the sparse simulated and measured normal velocities of a set of ribbed panels and new insights into their k-space behavior are highlighted. Behavior is essentially characterized at low frequencies by structural orthotropy. Comparisons with homogenized data show very good agreement. At higher frequencies, a new behavior pattern is observed and explained both numerically and experimentally. This is a multi-modal waveguide type of propagation in a direction parallel to the ribs.     

Structural hierarchy of rock masses and the mechanisms of its formation

The formation mechanisms for the structural hierarchy in geological media are discussed. It is shown that the formation of such a hierarchy is caused by certain external and internal circumstances. The first ones consist in the fact that, because of external actions, the Earth’s poles continuously execute the translational and rotational motions responsible for a regular structure of rock fracture and for the appearance of the scale factor √2. The second ones consist in the fact that, under the action of many random factors and because of external actions, during the formation of geological media there appear dissipative structures and, hence, some self-similar fractal structures are formed.     

Chlorination of aromatic substrates catalyzed by the phthalocyanine complexes

The chlorination of benzene, toluene, and o-xylene with molecular chlorine in the presence of the phthalocyanine complexes of different structures was studied. The transformations of the catalysts during the reaction were investigated. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1644–1647, August, 2008.     

Thermodynamic parameters of urethane formation reactions and concomitant processes

Thermodynamic parameters of reactions of methyl and phenyl isocyanates with a series of compounds were determined by quantum-chemical calculations. The products of these reactions model for various functional groups present in commercial polyurethanes. The thermodynamic stability series for compounds formed from aliphatic and aromatic isocyanates were constructed.     

New approach to processing of chlorine-containing wastes: Synthesis of 2,3-dichloropropene from 1,2,3-trichloropropane

Possibilities of utilization of by-products formed in manufacture of epichlorohydrin are considered. A promising way to utilize wastes from production of epichlorohydrin by synthesis of 2,3-dichloropropene from 1,2,3-trichloropropane is suggested.