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We report the results of a study of the polycrystalline powder of the diamond-lonsdaleite from the Popigai crater (Siberia) using UV micro-Raman spectroscopy and high-resolution synchrotron X-ray diffraction. By subtracting two experimental Raman spectra of diamond-lonsdaleite samples with close amounts of diamond and lonsdaleite, we were able to identify the polytypic composition of impact diamonds in contrast to the method of X-ray diffraction. We have managed to get for the first time the spectrum of “pure” lonsdaleite. Its deconvolution has allowed us to identify all the three Raman - active vibrational modes E2g, A1g, and E1g whose positions agree well with the results of ab initio calculations.

Nitrate crystals reveal nonlinear optical properties and could be considered as converters of laser radiation in the short-wave region. The conditions for obtaining and basic properties of K2Ba(NO3)4 double nitrate crystals were investigated. Crystal growth was implemented by slow cooling in the temperature range of 72–49 °C and low rate evaporation. The structural analysis of K2Ba(NO3)4 formation on the basis of two mixed simple nitrate structures is discussed. The main groups of oscillations in K2Ba(NO3)4 crystal were revealed using Raman and IR spectroscopy, and the table of vibrations for this compound was compiled. The electronic structure of K2Ba(NO3)4 was elucidated in the present work from both experimental and theoretical viewpoints. In particular, X-ray photoelectron spectroscopy (XPS) was employed in the present work to measure binding energies of the atoms constituting the titled compound and its XPS valence-band spectrum for both pristine and Ar+ ion-bombarded surfaces. Further, total and partial densities of states of constituent atoms of K2Ba(NO3)4 have been calculated. The calculations reveal that the O 2p states dominate in the total valence-band region of K2Ba(NO3)4 except of its bottom, where K 3p and Ba 5p states are the principal contributors, while the bottom of the conduction band is composed mainly of the unoccupied O 2p states, with somewhat smaller contributions of the N 2p∗ states as well. With respect to the occupation of the valence band by the O 2p states, the present band-structure calculations are confirmed by comparison on a common energy scale of the XPS valence-band spectrum and the X-ray emission O Kα band for the K2Ba(NO3)4 crystal under study. Furthermore, the present calculations indicate that the K2Ba(NO3)4 compound is a direct-gap material.

Knowledge about the stability of hydrous borates and borosilicates at high pressures are of critical importance to our understanding on the boron geochemical cycle. Raman spectroscopic measurements of parasibirskite CaHBO3, containing the [BO2(OH)] groups, have been made to pressures up to 5.4GPa. The Raman data show that a progressive structural evolution from ambient pressure to 5.4GPa can be accounted for by the same monoclinic phase P21/m, where the splitting of several Raman bands observed at some pressures is interpreted as the effect of the complex disordering in the H-bond network that has bifurcated H-bonds and ½-occupied H sites. There is no unambiguous evidence for phase transition to the ordered P21 monoclinic phase predicted by first-principles calculations at T=0K (W. Sun et al., Can. Miner., 2011). On the contrary, the disordering of parasibirskite, evidenced by the widening and attenuating Raman spectra, increases markedly at high pressures above 4.5GPa that results in incipient amorphization. Comparison of theoretical (lattice-dynamical) and experimental Raman spectra allows the reliable interpretation of almost all observed bands. The strongest symmetric B-O stretching band v1 at the wavenumber 908cm-1, which is split into a doublet at high pressures, exhibits a shift rate of 4.22cm-1/GPa for the main component.

Carbonaceous materials in black-shale rock specimens from three gold-ore deposits located in Russia and Kazakhstan have been investigated by micro-Raman spectroscopy using near-ultraviolet, visible, and near-infrared wavelength excitation. Only the 325-nm (3.8 eV) wavelength laser line excitation yielded the Raman spectra for all samples. The first-order Raman spectra of these carbonaceous materials have facilitated the classification of all the samples obtained from the different deposits into two groups: the observed wavenumber of the G-band around 1581 cm−1 with a band halfwidth from 23 to 40 cm−1 was observed in samples of the first type, and the observed wavenumber of the G-band near 1600 cm−1 with a band halfwidth from 46 to 73 cm−1 was characteristic in samples of the second type. From these Raman spectra, it has been possible to estimate the graphitization temperature, which was found to range between 380 and 450°С for samples of the first type and from 250 to 400°С for samples of the second type. It has also been shown that the carbonaceous materials are substantially varied in their structural order both in samples obtained from the same deposit and, to a greater extent, in samples obtained from the black-shale ore deposits of different types. Copyright © 2015 John Wiley & Sons, Ltd.

A study of Carica Papaya L. organs was carried out and was noted that the roots of Carica papaya cultivated in Ryazan under controlled green house conditions contains water-soluble polysaccharides, saponins, fructozanes and essential oils. It has also been established that the essential oil derived consists mainly of phenyl-isothiocyanate and other isothiocynates.