Hydration structure around a non-electrolyte molecule as revealed by monte carlo calculation: have you seen the “iceberg”?

Monte Carlo calculations have been carried out for pure water and an infinitely dilute aqueous solution of methanol at 298.15 K at ordinary density by the Metropolis method in NTV ensemble. The hydration structure around methanol revealed by a graphic display technique indicates a structure-forming effect near the hydrophobic group.     

Theoretical reconstruction and elementwise analysis of photoelectron spectra for imidazolium-based ionic liquids

We have recently measured core level and valence band XPS, UPS, and MIES spectra of two room temperature ionic liquids composed of bis(trifluoromethylsulfonyl)imide anions ([Tf(2)N](-)) and either 1-ethyl-3-methyl-imidazolium ([EMIm](+)) or 1-octyl-3-methyl-imidazolium cations ([OMIm](+)). [T. Ikari, A. Keppler, M. Reinm?ller, W. J. D. Beenken, S. Krischok, M. Marschewski, W. Maus-Friedrichs, O. H?fft and F. Endres, e-J. Surf. Sci. Nanotechnol., 2010, 8, 241.] In the present work we analyze these spectra by means of partial density of states (pDOS) as calculated from a single ion pair of the respective ionic liquid using density functional theory (DFT). Subsequently we reconstruct the XPS and UPS spectra by considering photoemission cross sections and analyze the MIES spectra by pDOS, which provides us decisive hints to the ionic liquid surface structure.     

Dimethyl carbonate synthesis and other oxidative reactions using alkyl nitrites

The oxidative reactions using the alkyl nitrites (RONO) as an oxidant have been developed by Ube Industries, Ltd. In the alkyl nitrite reactions, substrates such as CO andyor unsaturated- andyor carbonyl-compounds are oxidized over the palladium catalysts in no direct contact with molecular oxygen. The dimethyl carbonate (DMC), dialkyl oxalates and other useful chemicals are synthesized efficiently under moderate conditions by the alkyl nitrite reactions.     

A new oxidation system using nitrite oxidants

The oxidative reactions using alkyl nitrites (RONO) as oxidant have been developed by Ube Industries, Ltd. The substrates such as CO and/or unsaturated-and/or carbonyl-compounds are oxidized by RONO over the palladium catalyst with no contact of molecular oxygen. Dialkyl carbonates, dialkyl oxalates and other useful chemicals are synthesized efficiently under moderate conditions by this alkyl nitrite technology.     

Positron annihilation in electron irradiated Cz-Si

Defects in electron irradiated Cz-Si were studied by the positron annihilation technique. In order to know effects of the thermal history of crystals on the introduction of defects, the specimen was quenched from 1390°C to room temperature before irradiation. A clear correlation between results obtained by the positron annihilation experiments and those by infrared spectroscopy was established. From the isochronal annealing experiment, it was found that oxygen clusters were introduced by quenching treatments.     

Photo-enhanced crystallization by laser irradiation and thermal annealing in amorphous GeSe2

The laser irradiated crystallization process in amorphous GeSe₂ was studied by Raman scattering to discriminate between thermal and photo-induced contributions. Amorphous GeSe₂ crystallizes into a low-temperature (LT) form, LT-GeSe₂, and a high-temperature (HT) form, HT-GeSe₂. An amorphous sample was annealed at various temperatures and times in an electric furnace with and without laser irradiation. The laser power was adjusted to about 20 mW having a 0.4 mm spot size to determine the photo-induced effect. The difference between the thermal and laser irradiated crystallization process was discussed by considering the activation energy of crystallization. The activation energy due to laser irradiation above the band-gap energy was found to be smaller than that for the pure thermal crystallization process. We present a model for the photo-enhanced effect in which the lone-pair electrons of Se atoms are excited by the photons and the bond switching or atomic rearrangement occurs when the electrons relax through an electron–phonon interaction.     

Effects of ultraviolet irradiation during growth of ZnSe epilayers by atmospheric pressure metalorganic vapor-phase epitaxy using dimethyl zinc and H2Se

This work has investigated the effects of ultraviolet irradiation on the epitaxial growth process of undoped ZnSe by atmospheric-pressure metalorganic vapor phase epitaxy. Dimethyl zinc and H₂Se at a [VI]/[II] mole ratio of 20 were the source gases used for growth onto (100)-just oriented semi-insulating GaAs substrates. Hydrogen was used as the carrier gas. A 500 W Hg-Xe lamp irradiated the substrate at 300 nm wavelength during growth. Growth temperature was varied from 210 to 450°C. Epilayers grown in the presence of irradiation experienced a prominent decrease in growth rate, which occurred even at high temperatures. Through a combination of surface and vapor-phase reactions, UV irradiation also affected the photoluminescence properties, crystalline quality, and surface morphology of the epilayers.     

X-Ray Tube Voltage Dependence of Wiener Spectra of Screen Structure Mottle Recorded on Front and Back Emulsions

A low-speed screen/film system was used to investigate structure mottle, i.e., the density fluctuation of an x-ray film due to inhomogeneous screen structure. The tube voltage dependence of the Wiener spectra of the structure mottle was separately determined for front and back film emulsions. The Wiener spectral values of the structure mottle of the front emulsion were greater than those of the back emulsion at lower tube voltages. The spectral values of the structure mottle of the front emulsion decreased with tube voltage, while those of the back emulsion increased. We explain these phenomena by the behavior of the Wiener spectra of the relative spatial fluctuation of fluorescence intensity due to following reasons: (1) spatial thickness fluctuation of the screen produces a relative spatial fluctuation of x-ray energy absorbed in the screen, and (2) as the distance between the emulsion of the film and the average position of the x-ray absorption in the screen lengthens, the number of random scattering and absorption of light photons increase.Presented at the International Commission for Optics Topical Meeting, Kyoto, 1994.