Mass spectra of arylalkylpyridines

The basic principles of the mass-spectral fragmentation of arylalkylpyridines that contain substituents in various positions were established. The principle ions that can be used in Chromatographic mass-fragmentographic analysis in the study of liquid-crystal compositions were determined for each specific case.Communication 1 of the series Mass spectra of liquid crystalsTranslated from Khimiya Geterotsiklicheskikh Soedinenii, No. 11, pp. 1509–1513, November, 1987.     

Mössbauer study of hydrothermally-treated ferrosilica gels

Mössbauer spectroscopy and x-ray phase analysis have been used to examine the structural states and grain sizes of the iron-bearing phase in ferrosilica gels in the initial state and after hydrothermal treatment at 673 K. The component ratio has a substantial effect on the phase composition. The specific surface is also related to the phase composition.Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 23, No. 5, pp. 647–651, September–October, 1987.     

Determination of the lifetime of singlet oxygen with the kinetics of quenching of its luminescence after a laser flash in films of amorphous polymers

Conclusions The lifetime of singlet oxygen is 22, 34, and 35 usec in polystyrene, polycarbonate, and polymethyl methacrylate.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 7, pp. 1484–1488, July, 1987.We would like to thank V. Ya. Shlyapintokh for his valuable comments in discussing the results.     

Force fields and vibrational spectra of M2O and MOH (M = Li,Na) molecules according to data from nonempirical MO-LCAO-SCF calculations

The geometric structure, force fields, and vibrational spectra of M₂O and MOH (M=Li, Na) molecules have been investigated. The size of the d basis on the oxygen atom has a significant influence only on the frequency of the deformation vibration ₃. Experimentally unknown constants of the molecules considered have been evaluated.Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 22, No. 6, pp. 724–728, November–December, 1986.     

Structure and thermodynamics of hydrocarbon liquids: Computer simulation based on rism theory

A system of Ornstein-Zernike integral equations is solved numerically to determine the heats of vaporization ΔH_V of liquid ethane, propane, and n-butane. It is shown that the calculations (the deformations of valence bonds and bond angles in the liquid-phase molecules are ignored) give rather accurate values of ΔH_V, which are in agreement with the corresponding experimental data. On the other hand, it is established that if there are intramolecular rotational degrees of freedom, ΔH_V depends on the angle of internal rotation ϕ. The function ΔH_V(ϕ) is minimum for trans-conformations (ϕ=0) and maximum for cis-conformations (ϕ=180°). Hence, intermolecular interactions stabilize compact (convolute) conformations. The energy of this effect is of the order of 1 kJ/mole. Tver State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 36, No. 5, pp. 808–813, September–October, 1995. Translated by I. Izvekova     

Influence of the crystallinity of pentasil-type zeolites on their acidity

The acid properties of intermediate products in crystallization of pentasil-type zeolites have been investigated using programmed thermal desorption of ammonia and adsorption of pyridine. It was found that acidity increases with increasing crystallinity due to proton-donor centers. A correlation was established between this change in acidity and methanol TPSR data.Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 31, No. 1, pp. 48–51, January–February, 1995.