Electron structure of organophosphorus compounds

The theory and parametrization of an iterative method of calculating the electron structure of molecules are presented. Use is made of the modified Mulliken equation for calculating the population of the atomic orbits, while group theory is employed for estimating the parameters. A comparison between the calculated and experimental ionization potentials of certain molecules confirms that the simple computing method here proposed yields reasonably satisfactory results.     

Synthesis of new sulfonamide derivatives of thiazolo[3,2-<Emphasis Type="Italic">a</Emphasis>]quinazolin-5-one

A general procedure has been proposed for the synthesis of thiazolo[3,2-a]quinazolin-5-one derivatives containing a sulfonamide group on C⁷ via intramolecular nucleophilic substitution of halogen in 2-halo-5-sulfamoyl-N-(1,3-thiazol-2-yl)benzamides. The effects of the degree of activation of the initial compound and halogen nature on the yield of the target products have been analyzed.     

Synthesis of trinuclear Cu<Superscript>II</Superscript>-complex with tris(4-triphenylmethylphenoxy)-substituted hemihexaphyrazine and radioprotective properties of its water-soluble form

A condensation of 2,5-diamino-1,3,4-thiadiazole with the products of the in situ reaction of 1,2-dicyano-4-(4-triphenylmethylphenoxy)benzene with sodium alkoxides in a mixture of butanol—methanol furnished a trisubstituted ABABAB-type macroheterocycle (hemihexaphyrazine). A 3 : 1 trinuclear complex was synthesized by the reaction of the macrocycle with copper(II) acetate. The compounds obtained were characterized by IR spectroscopy, UV-vis spectroscopy, mass spectrometry, as well as by elemental analysis. Radioprotective properties of the water-soluble form of the complex were studied     

The solid solutions based on lanthanum manganite as the cathod materials for bismuth-containing solid electrolytes

Substituted lanthanum manganites with the general composition La_1–x Bi _x Mn_1–y Fe(Ni,Cu)yO_{3 + δ} and unit cells in rhombohedral (space group (sp. gr.) R-3c) and/or orthorhombic (sp. gr. Pnma) symmetry are synthesized and attested. They are characterized by permanent excessive oxygen nonstoichiometry within a single structure type at room temperature, independent of the dopant concentration. These materials are adequately mechanically compatible with bismuth niobates. The interval of their chemical compatibility with bismuth-containing compounds is limited by 700–800°C. In this region, the conductivity of composites of substituted lanthanum manganites and bismuth-containing electrolytes is higher as compared with individual compounds. The use of individual manganites or their composites as the electrodes in cells with bismuthcontaining electrolytes increases the total conductivity of the cells.     

Negative-ion mass spectrum of some analogs of 11-deoxyprostaglandins E1

The results of a study of the mass spectra of the negative ions formed in the dissociative capture of electrons by the molecules of some analogs of 11-prostaglandins E₁ have shown that from the fragments of the compound under consideration it is possible to single out two “centers” of electron capture: R and the remaining fragment of the molecule. The presence of fragments characteristic for each group of processes and their simplicity and distinctness permit this method to be used successfully for determining the structures of compounds of the given class.     

Abstracts

Russian Physics Journal -