Crystalline materials that are transparent in the vacuum UV spectral region and currently used have been reviewed. Transmission of crystals of solid solutions with the fluorite structure Ca1?xRxF2+x (R = Sc, Y, La, Yb, Lu) in the UV and vacuum UV spectral regions has been investigated. It is shown that application of different methods of purification of fluorides from some impurities can significantly improve the optical quality of fluoride multicomponent crystals in the short-wavelength spectral region. 相似文献
The restricted Hartree-Fock method was used to determine the cycle size effects on the geometric parameters of several inorganic templates, cyclophosphazenes PnNnX2n (X = H, F, Cl; n = 2, 3, 4). A topological analysis of local electronic properties at the electron density critical points of bonds allowed us to quantitatively characterize the chemical bond in cyclophosphazenes and its dependence on the cycle size and substituents at phosphorus. The calculated distributions of the electron density Laplacian and electron pair localization functions revealed the special features of the electronic structure of the nitrogen and phosphorus atoms. These results explain the nature of noncovalent interactions between the P atoms of one cyclophosphazene molecule and the N atoms of the other. 相似文献
A method for calculating the parameters of formation of vacancies in crystals formed by spherically symmetrical atoms was developed. Both quantum effects at low temperatures and the possibility of the delocalization of atoms at high temperatures were studied. The parameters of formation of vacancies in carbon subgroup element crystals C-diam, Si, Ge, α-Sn, and Pb were calculated. The inclusion of the delocalization of atoms was shown to increase the enthalpy, entropy, and volume of vacancy formation. At low temperatures, the parameters of vacancy formation were found to depend strongly on the temperature, and the entropy of vacancy formation became negative. At high temperatures, close agreement with experimental data and theoretical estimates reported by other authors was obtained. The temperature dependence of vacancy parameters was studied for diamond heated isobarically from 100 to 4500 K. The applicability scope of the Arrhenius equation with a temperature-independent activation energy is discussed. The validity of the “compensation rule” (correlation between the entropy and enthalpy of vacancy formation) was demonstrated. It was also shown that the volume and entropy of vacancy formation were correlated over the whole temperature range studied.
It is well known that F. G. Tricomi (1923) is the originator of the theoryof boundary value problems for mixed type equations by establishing the Thicomi equation: y·uxx+uyy=0 which is hyperbolic for y < 0, elliptic for y=0. and parabolic for y= 0 and then applied it in the theory of transonic flows.Then A.V.Bitsadze together with M. A . Lavrent′ev (1950) established the Bitsadze Lavre nt′ev equation: sgn( y ) ·uxx+uyy=0 where sgn(y) = 1 for y > 0, = -1 for y<0, 0 for y=0 with the discontinuous coefficient sgn( y ) of uxx, while in the case of Tricomi equation the corre sponding coefficient y is continuous. In this paper we establish the mixed Bitsadze Lavrent′ev Tricomi equation. Lu=K(y)·uxx+sgn(x) ·uyy+r(x,y)·u=f(x,y), where the coefficient K=K(y) of uxx is increasing continuous and coefficient M=sgn(x) of uyy discontinuous, r=r(x,y) is once continuously differentiable, f=f(x,y) continuous. Finally we prove the uniqueness of quasi regular solutions and observe that these new results can bbe applied in fluid dynamics. 相似文献
The diversity of products in the reaction of diethyl azodicarboxylate (DEAD)/diisopropyl azodicarboxylate (DIAD) and activated
acetylenes with PIII compounds bearing oxygen or nitrogen substituents is discussed. New findings that are useful in understanding the nature
of intermediates involved in the Mitsunobu reaction are highlighted. X-ray structures of two new compounds (2-t-Bu-4-MeC6H3O)P (μ-N-t-Bu)2P+[(NH-t-Bu)N[(CO2]-i-Pr)(HNCO2-i-Pr)]](Cl-)(2-t-Bu-4-MeC6H3OH)(23)and [CH2(6-t-Bu-4-Me-C6H2O)2P(O)C(CO2Me)C-(CO2Me)CClNC(O)Cl] (33) are also reported. The structure of23 is close to one of the intermediates proposed in the Mitsunobu reaction. 相似文献