Orbital electronegativity concept and its role in energetic crystal chemistry

Development of the orbital electronegativity concept since, 1934 is considered. It is shown that the concept is well substantiated from the quantum chemical viewpoint and is used in such fields of chemistry and crystal chemistry as the Lewis acid-base theory, the reactivity theory, etc. Its application is based on the electronegativity balance principle, which includes not only intraatomic effects but also different interatomic interaction contributions. The concept became a natural tool in modern methods for predicting and modeling the structure and properties of molecules and crystals. M. V. Lomonosov Moscow State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 35, No. 1, pp. 111–127, January–February, 1994. Translated by L. Smolina     

Comparison of lead solubility in NaCl crystals from data obtained by different methods

The solvus of the NaCl: Pb²⁺ system was found in the concentration range from 1.5 × 10⁻³ to 1.9 × 10⁻² mol% at temperatures ranging from 375 to 430 °C from the data of flotation measurements of the crystal density. The heat of impurity dissolution equal to 2.0 ± ± 0.6 eV and the change in the vibrational entropy in the formation of the solid solution S_v/K= 20 ± 10 were determined. Reasons for a difference in the estimates of lead solubility in NaCl, obtained from temperature dependences of light scattering and by other methods: measurement of the density, electric conductivity, and the electron-microscopic decoration of the same crystals are discussed.     

Precision X-ray diffraction and Mössbauer studies and computer simulation of the structure and properties of malayaite CaSnOSiO<Subscript>4</Subscript>

The structure and some physical properties of malayaite CaSnOSiO₄ have been studied by the precision X-ray diffraction, Mössbauer spectroscopy, and computer simulation of the structure. The unit-cell parameters a = 7.152(2) Å, b = 8.888(2) Å, c = 6.667(2) Å, β = 113.37(2)°, V = 389.0(3) ų, and μr = 0.68 are refined on a synthetic impurity-free sample. The distribution of the deformation electron density is analyzed in the basic fragments of the crystal structure forming an anionic framework. The constructed potentials of pair and three-particle interaction reproduced quite well the elastic, dielectric, and energy characteristics and allowed us to predict their numerical values, which are in good agreement with the limited available experimental data.     

Spectral-kinetic laws of the radical-recombination luminescence of crystal phosphors activated by manganese

A study was made of the spectral-kinetic laws of luminescence of a number of crystal phosphors activated by manganese in flows of atomic hydrogen and nitrogen. The data obtained were analyzed in terms of the mechanisms of luminescence arising in adsorption, bond strengthening, and the recombination of free atoms and radicals. It is shown that as a result of the specificity of the radical-recombination luminescence (RRL) of crystal phosphors activated by manganese, RRL can serve as an effective means of analyzing manganese dopants in crystal phosphors.Translated from Izvestiya Vysshikh Uchebynkh Zavedenii Fizika, No. 11, pp. 16–21, November, 1971.