Calculation of normal vibrations as applied to the study of properties of inorganic compounds

Using the Morse potential and spectroscopic constants it has been shown for diatomic molecules that the force constant of the bond (Kq) is proportional to its dissociation energy (D) so that Kq can be regarded as a measure of the bond strength. An analysis of K_MA of a series of complexes clearly indicates the correlation between the force constants K_MA and the MA bond length, thermodynamic constants of the MA bond dissociation, and reaction rates of the MA bond rupture.     

Mass-spectrometric study of adamantane derivatives

Conclusions The characteristic features of the mass spectra of a number of monofunctional alkyladamantanes, substituted in junction points, were found.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 5, pp. 1028–1030, May, 1972.     

Quantum-chemical study of the electronic structure of adamantane and the 1-adamantyl cation,anion, and radical

The spatial and electronic structures of the adamantane molecule (AdH), the 1-adamantyl radical (1-Ad^.), the 1-adamantyl cation (1-AD⁺), and the 1-adamantyl anion (1-Ad^–) have been calculated by the SCF-MO-LCAO method in the all-valence-electron MINDO approximation. The calculated heats of formation attest to the fact that the homolytic cleavage of the C-H bond is energetically most advantageous in the gaseous phase or in nonpolar inert solvents. The formation of a 1-Ad^–, H⁺ pair is associated with the largest expenditure of energy due to the large ionization potential of the hydrogen atom.Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 25, No. 3, pp. 357–360, May–June, 1989.     

Structure and vibrational spectra of salts of the [VW5O19]3− anion. Crystal structure of [N(CH3 4]2(NH4) [VW5O19]

Institute of Inorganic Chemistry and Institute of Catalysis, Siberian Branch. Academy of Sciences of the USSR. Kishinev State University. Translated from Zhurnal Strukturnoi Khimii, Vol. 29, No. 3, pp. 84–88, May–June, 1988.