Intramolecular resonance as a catalytic factor

It was shown that the resonance mixing of states on large molecules can increase the probability of reaction. This effect is similar to a decrease in the activation threshold or the action of an external catalyst.     

Mathematical modeling of the dissolving and deposition processes during solution seepage in a porous medium

A mathematical model that describes solution seepage in a porous medium and the processes of mineral dissolving and secondary deposition is proposed. Self-similar solutions describing the motion of the leading and trailing fronts, that is, the boundaries of the complete-dissolving zone, are determined. The main features of the processes under consideration are studied and numerical calculations are performed. It is shown that the model describes well the experimental data on mineral leaching by sulfate solutions. The dynamics of mineral extraction from productive solutions in a medium with a nonuniformacidity distribution are investigated. It is shown that, in the elevated-PH zones, the mineral is dissolved; whereas, in the low-acidity zones, secondary deposition of the mineral occurs. In the latter case, after the work has been completed, the bed may contain more or less considerable mineral resources, depending on the extent of the low-PH zone and its proximity to an extraction well.     

Ferrocenylalkyl azoles: bioactivity,synthesis, structure

The toxicity of ferrocenylethyl benzotriazole ( 1 ) and other ferrocene compounds including ferrocenylmethyl benzimidazoles ( 4,5,6,11 ), ferricenium salts ( 3,9,10 ) and ferrocenylmethyl adenine ( 7 ), was studied. All ferrocene complexes under investigation showed low or medium toxicities. On the basis of an earlier model of chemical carcinogenesis, the antitumor activity of ferrocenylalkyl azoles 1, 8 and ferricenium salts 9, 10 was studied in vivo in the so‐called sub‐capsular test on human tumors. This effectiveness was compared with that of cisplatin. A series of ferrocenylalkyl azoles were synthesized by interacting azoles either with α‐hydroxyalkyl ferrocenes FcC(OH)R₁R₂ in organic solvent in the presence of aqueous HBF₄ in quantitative yields or with trimethyl(aminomethyl)ferrocene iodide in an aqueous‐basic medium in good yields. The X‐ray determinations of molecular and crystal structures of α‐(1‐benzotriazolyl)ethylferrocene ( 1 ) and α‐(1‐naphthatriazolyl)ethylferrocene ( 12 ) were performed. Copyright © 2008 John Wiley & Sons, Ltd.     

Fractionally differenced models for water quality time series

This paper deals with the selection and evaluation of statistical techniques for use in the modeling and forecasting of water quality time series. The focus is on statistical concepts relevant to the analysis of flows and concentrations. A selection of time series procedures has been used for auditing water quality archival data, including the screening of data sets, correlation and spectrum calculations, and iterative model fitting. A summary is provided of experience with analyzing archival data on the Niagara River and the use of a fractionally differenced model.This paper is the result of a study performed for the International Joint Commission, United States and Canada. The authors gratefully acknowledge the direction and support provided by Dr. Joel L. Fisher.     

Thermal decomposition of butylindium thiolates and preparation of indium sulfide powders

Thermal properties of organoindium thiolates were investigated by means of thermogravimetric (TG) and differential thermal (DT) analysis. Dibutyl-indium propylthiolates (Buⁿ₂InSPrⁿ, Buⁿ₂InSPrⁱ, Buⁱ₂InSPrⁿ and Buⁱ₂InSPrⁱ) decomposed up to 280°C along with an exothermic DT peak and gave indium(I) sulfide (InS) powders. Although the arylthiolate Buⁿ₂InSPh also afforded InS powders, it decomposed at a slightly higher temperature. In contrast, the dithiolate and the dithiocarbamate complexes [BuⁿIn(SPrⁱ)₂ and In (S₂CNBu₂)₃] gave indium(III) sulfide (In₂S₃) powders.     

Pulsed laser thin film growth of di-octyl substituted polyfluorene and its co-polymers

Matrix-assisted pulsed laser deposition (PLD) allows a controlled layer-by-layer growth of polymer films. Di-octyl substituted polyfluorene (PF8) and its copolymers were deposited as thin films using matrix-assisted PLD by employing a KrF excimer laser with a fluence of 125 mJ/pulses. The optical and structural properties of these films are compared with spincoated films via Raman spectroscopy, absorption and photoluminescence. The Raman spectra of both PLD and spincoated films are similar indicating that the polymer films deposited via PLD maintain their molecular structure. Both the spincoated and the PLD grown PF8 films that were cast from toluene show the presence of the β phase. Benzothiadiazole substituted PF8 (F8BT) and butyl phenyl-substituted PF8 (PFB) PLD grown films show a slightly broader emission compared to the spincoated films, which is attributed to an enhanced intermolecular interaction in the PLD grown thin films.     

Structural and optical properties of pulsed laser deposited SrBi2Nb2O9 thin films

SrBi₂Nb₂O₉ (SBN) thin films were prepared on fused quartz substrates at room temperature by pulsed laser deposition. The influence of deposition parameters such as target-to-substrate distance, oxygen pressure and annealing temperature on film crystallization behavior was investigated by X-ray diffraction. Results indicated that the films grown at the optimum processing conditions have polycrystalline structure with a single layered perovskite phase. The optical transmittance of the films prepared at various oxygen pressures was measured in the wavelength range 200–900 nm using UV–vis spectrophotometer. The results showed that there is a red shift in the optical absorption edge with a rise in the oxygen pressure. Refractive index as a function of wavelength and optical band gap of the films were determined from the optical transmittance spectra. The results indicated that the refractive index increases with increasing oxygen pressure at the same incident light wavelength, while the band gap reduces from 4.13 to 3.88 eV. It may be attributed to an increase in packing density and grain size, and decrease in oxygen defects.     

Pentafluorobenzaldehyde and its utilizing in organic synthesis

Over the past 50 years, pentafluorobenzaldehyde has received much attention due to its unique chemical and physical properties as well as its real or potential applications in chemistry of porphyrines, additives, drug delivery and in analytical chemistry. Pentafluorobenzaldehyde is multifunctional aromatic compound containing five atoms of fluorine and one aldehydic function. That is why it can provide nucleophilic substitutions of all or some atoms of fluorine, nucleophilic additions of aldehydic function, “haloform reaction” and some cyclization reactions. This year, it is being the 50th year, since the first synthesis of this compound was published.     

Preparation and characterizations of amorphous nanostructured SiC thin films by low energy pulsed laser deposition

Amorphous silicon carbide (SiC) thin films were deposited on silicon substrates by pulsed laser ablation at room temperature. Thicknesses and surface morphology of the thin films were characterized using optical profilers, atomic force and field emission scanning electron microscopy. Nanohardnes, modulus and scratch resistance properties were determined using XP nanoindenter. The results show that crack free, smooth and nanostructured thin films can be deposited using low laser energy densities.