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1.
Rastsvetaeva R. K. Chukanov N. V. Pekov I. V. Varlamov D. A. Kazheva O. N. 《Crystallography Reports》2022,67(2):166-171
Crystallography Reports - The crystal structure and crystallochemical features of a Fe-deficient zirconium-rich analog of eudialyte from the Lovozero alkaline massif (Kola peninsula) have been... 相似文献
2.
Yu. V. Belovitskaya I. V. Pekov E. R. Gobechiya N. A. Yamnova Yu. K. Kabalov N. V. Chukanov J. Schneider 《Crystallography Reports》2002,47(2):223-228
The crystal structures of two ancylite specimens from Khibiny massif (the Kola Peninsula, Russia)—ancylite-(Ce) from alkali hydrothermalites (Sr1.01Ca0.02Ba0.01)Σ1.04(Ce0.52La0.28Nd0.11Pr0.04 Sm0.01)Σ0.96(CO3)2(OH0.83F0.13)Σ0.96 · 0.9H2O and ancylite-(Ce) from carbonatites—have (Sr0.80Ca0.05Ba0.01)Σ0.86(Ce0.62La0.40Nd0.09Pr0.03) Σ1.14(CO3)2(OH0.99F0.15)Σ1.14 · 1.0H2O been refined by the Rietveld method. A focusing STOE-STADIP diffractometer with a bent Ge(111) primary monochromator was used (λ MoK α 1 radiation, 2.16° < 2θ < 54.98°; reflection number 237–437). All the computations for ancylite from alkali hydrothermalites were performed within the sp. gr. Pmc21, a = 5.0634(1) Å, b = 8.5898(1) Å, c = 7.2781(1) Å, V = 316.55(1) Å3, R wp = 1.90; the computations for ancylite from carbonatites were performed within the sp. gr. Pmcn, a = 5.0577(1) Å, b = 8.5665(2) Å, c = 7.3151(2) Å, V = 316.94(1) Å3, R wp = 2.38 in the anisotropic approximation of thermal vibrations of cations and oxygen atoms. 相似文献
3.
Dynamics of changes in microstresses during thermal decomposition of Cu(HCOO)2 crystals and their effect on the thermal decomposition kinetics were studied by IR spectroscopy at 105 to 120 °C. The formation of solid intermediate HCOOCu was observed, and the dynamics of its accumulation was followed. Kinetic regularities of transformation of HCOO groups were compared with those for gas evolution.For Communication 1, see Ref. 1.Translated from Izvestiya va Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 350–354, February, 1996. 相似文献
4.
V. V. Nedel'ko B. L. Korsounskii T. S. Larikova V. R. Stepanov N. V. Chukanov I. V. Nedel'ko 《Russian Chemical Bulletin》1994,43(11):1812-1815
The thermal decomposition of 1-ethyl-5-iodotetrazole in a melt and in solutions was studied using thermogravimetry, manometry, pyrolytic mass spectrometry, and IR spectroscopy. The kinetic and activation parameters of the process and the nature of the decomposition products were determined. The reaction mechanism is assumed to involve equilibrium tautomeric rearrangement of the tetrazole to azidoazomethine form followed by homolytic cleavage of the C-I bond.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 11, pp. 1923–1926, November, 1994.The authors are grateful to O. A. Ivashkevich and P. N. Gaponic (Belarussian State University), who provided the samples of the tetrazole. 相似文献
5.
The Voronoi polyhedrons constructed within the framework of molecular–dynamic model of water clusters are used for the analysis of the hydration of HF and HCl molecules. The metric (lengths, angles, surfaces, and volumes) and polyhedron energy parameters are considered. The quantitative characteristics of hydration are derived on this basis. 相似文献
6.
The thermodynamic properties of pure water clusters and aqueous aggregates with either CO or CO2 molecule were calculated by the molecular dynamics method. The resulting size dependence of the surface tension of the clusters was used to determine the size of the critical seeds. The rate of homogeneous and binary nucleation in atmospheric air was estimated. The role of polar and nonpolar impurity molecules at the initial stage of steam condensation is discussed. 相似文献
7.
The simulation of the absorption of CO2 molecules by the (H2O)10 cluster is performed by the molecular dynamics method using the modified TIP4P model of water. The detailed structure of (CO2)i(H2O)10 clusters (0≤i≤11) is analyzed by the statistic geometry method based on the construction of the Voronoi polyhedra. The obtained distributions of the geometric elements of polyhedra indicate the significant changes in the structure of a cluster after the absorption of one CO2 molecule. Only polyhedra characterizing the structure of unstable water clusters that absorbed six or seven CO2 molecules demonstrate a nonsphericity close to the ideal tetrahedron. Linear CO2 molecule tends to be oriented in a cluster so that the average angle formed by this molecule and permanent dipole moments of water molecules would be equal to about 30°.__________Translated from Kolloidnyi Zhurnal, Vol. 67, No. 3, 2005, pp. 315–321.Original Russian Text Copyright © 2005 by Galashev, Rakhmanova, Chukanov. 相似文献
8.
Autocorrelation functions of translational and angular velocities of H2O and CO2 molecules in (CO2)i(H2O)10 clusters that are generated by the molecular dynamics method, as well as their frequency spectra, are calculated. Self-diffusion coefficients of molecules in clusters are determined. The IR spectra thus obtained and frequency-dependent dielectric permittivity of the clusters indicate the enhancement of absorption of Earth’ thermal radiation by these aggregates with an increase in the number of CO2 molecules in the aggregates. Dielectric losses also increase with the i number.__________Translated from Kolloidnyi Zhurnal, Vol. 67, No. 3, 2005, pp. 322–327.Original Russian Text Copyright © 2005 by Galashev, Rakhmanova, Chukanov. 相似文献
9.
V. V. Nedel'ko A. V. Shastin B. L. Korsunskii N. V. Chukanov T. S. Larikova A. I. Kazakov 《Russian Chemical Bulletin》2005,54(7):1710-1714
Ditetrazol-5-ylamine (DTA) was synthesized from cyanuric chloride in four steps. The thermal decomposition of DTA in the solid
state was studied by thermogravimetry, volumetry, mass spectrometry, IR spectroscopy, and calorimetry. Under isothermal conditions
at 200–242 °C, thermal decomposition obeys the first order autocatalytic kinetics. The kinetic and activation parameters of
DTA decomposition were determined. The composition of gaseous reaction products and the structure of condensed residue were
studied. The thermal effect of thermal DTA decomposition is 281.4 kJ mol−1. The nitrogen content in a mixture of gaseous products formed by the reaction in a temperature interval of 200–242 °C exceeds
97 vol.%.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 7, pp. 1660–1664, July, 2005. 相似文献
10.
Spectral characteristics of (H2O)n, (O2)m(H2O)n, and (O)i(H2O)n cluster systems, where m≤2, i≤4, and 10 ≤ n ≤ 50, are studied with the molecular dynamics method using a flexible molecule model. The IR absorption spectra are changed substantially as a result of O2 molecule dissociation, and in the presence of atomic oxygen in the clusters, the spectra are characterized by a deep minimum at 520 cm?1. The absorption of oxygen causes a marked reduction in reflection coefficient R of monochromatic IR radiation. The number of peaks in the R(ω) spectra decreases to two in the case of molecular oxygen absorption and is no larger than four in the case of atomic oxygen absorption. The absorption of atomic oxygen by the clusters is also accompanied by a significant increase in the dissipation of energy accumulated by the clusters. This effect weakens when molecular oxygen is absorbed. An increase in atomic oxygen concentration in the clusters renders their radiation harder. 相似文献