Structural investigations of isomeric 2,4-diphenyl-7,8-benzohexahydrothiochromenes

Structural investigations were carried out by means of PMR spectroscopy and x-ray diffraction analysis, and the type of fusion of the heterorings and alicyclic rings in isomeric 2,4-diphenyl-7,8-benzohexahydrothiochromenes previously obtained by the disproportionation and ionic and catalytic hydrogenation of 2,4-diphenyl-7,8-benzo-5, 6-dihydrothiochromene was established. The predominant realization of a diastereomer with trans-fused heterorings and alicyclic rings in all of the reactions mentioned above was demonstrated; the possibility of the formation of the eis isomer in the catalytic reduction of benzodihydrothiochromene was confirmed.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 8, pp. 1060–1063, August, 1980.     

Disproportionation of pyrans

Russian Chemical Bulletin -     

Circularly polarized x rays: another probe of ultrafast molecular decay dynamics

Dissociative nuclear motion in core-excited molecular states leads to a splitting of the fragment Auger lines: the Auger-Doppler effect. We present here for the first time experimental evidence for an Auger-Doppler effect following F1s → a(1g)* inner-shell excitation by circularly polarized x rays in SF(6). In spite of a uniform distribution of the dissociating S-F bonds near the polarization plane of the light, the intersection between the subpopulation of molecules selected by the core excitation with the cone of dissociation induces a strong anisotropy in the distribution of the S-F bonds that contributes to the scattering profile measured in the polarization plane.     

Effects of the material gradation on the SIFs of a crack in a 2-D FGM plate under thermal shock

Crack analysis of linear coupled thermoelasticity in two-dimensional, isotropic, non-homogeneous and linear elastic functionally graded materials subjected to thermal shock is performed by using a boundary-domain element method. The material parameters are assumed to be continuous functions of the spatial coordinates. Fundamental solutions of linear coupled thermoelasticity for the corresponding isotropic, homogeneous and linear elastic solids in Laplace-transformed domain are applied in the boundary-domain integral formulation. A collocation method is implemented for the numerical solution. Numerical examples for an exponential gradation of the material parameters are presented and discussed. The influences of the material gradation on the stress intensity factors are investigated. (© 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Modeling microstructure evolution of binary systems subjected to irradiation and mechanical loading

We study a change in mechanical properties of binary systems subjected to irradiation influence described by ballistic flux of atomic mixing having regular and stochastic contributions. By using numerical modeling based on the phase field approach we study dynamics of deformation fields in a previously irradiated system and in the binary system deformed during irradiation. An influence of both deterministic and stochastic components of ballistic flux onto both yield strength and ultimate strength is studied. We have found that degradation of mechanical properties relates to the formation of percolating clusters of shear bands. Considering a hardening coefficient we analyze stages of plastic deformation of both initially irradiated alloy and alloy subjected to sustained irradiation. Stability of binary alloy under mechanical loading in the form of shear strain with a constant rate and cyclic deformation is discussed.     

Thermal expansion of Sn2P2S6 crystals

We present the results for thermal expansion coefficients of Sn₂P₂S₆ crystals determined both in the crystallographic system and the system based on eigenvectors of thermal expansion tensor. Peculiarities of temperature evolution of the indicative surface of thermal expansion tensor for Sn₂P₂S₆ are discussed, including the region of their ferroelectric phase transition.