Two Coulomb waves theory for direct excitation

A theoretical model of Dewangan, in which the total scattering wave function is approximated by a distorted wave containing two Coulomb wave functions, is discussed and its relation with the Brauner-Briggs-Klar model for ionization is examined. An important feature of the theory is that it includes a second Born amplitude naturally and in addition, contains, albeit approximately, both real and imaginary parts of all higher order Born terms. The theory is applied to study the 1s→2s excitation of hydrogen by electrons in the energy range 54.4 to 400eV. The differential and integral cross sections predicted by the theory are compared with the results of other theories and experimental data at 54.4eV and a good agreement is found.     

Structural, electrical and optical properties of ZnS films deposited by close-spaced evaporation

ZnS films have been deposited on glass substrates by close-spaced evaporation (CSE) technique. The films were grown at different temperatures in the range, 200-350 °C. The layers have been characterized with X-ray diffractometer (XRD), atomic force microscope (AFM), energy dispersive analysis of X-rays (EDAX) and optical spectrophotometer to evaluate the quality of the layers for photovoltaic applications. The studies showed that the optimum substrate temperature for the growth of ZnS layers was 300 °C. The films grown at these temperatures exhibited cubic structure with nearly stoichiometric composition. The AFM data revealed that the films had nano-sized grains with a grain size of ∼40 nm. The optical studies exhibited direct allowed transition with an energy band gap of 3.61 eV. The other structural and optical parameters such as lattice stress, dislocation density, refractive index and extinction coefficient were also evaluated. The temperature-dependent conductivity measured in the range, 303-523 K showed a change in the conduction mechanism at 120 °C. The activation energy values evaluated using the temperature dependence of electrical conductivity are 7 and 29 meV at low and high temperature regions, respectively.     

Structural studies on ruthenium(II) complexes used in interphase catalysis for the hydrogenation of ketones

Structural studies were performed on catalytically active ruthenium(II) complexes used in interphases, by means of XAFS spectroscopy. The EXAFS investigations indicate that the complexes retain their structural integrity when they are embedded on polysiloxane matrices to form stationary phase materials. The AXAFS studies reveal that the variations in the catalytic activity of the complexes with different ligands can be correlated to the differences in the electronic structure around the active ruthenium center. The EXAFS investigations show that, in asymmetric transfer hydrogenation reactions catalysed by ruthenium(II) complexes, the co‐catalyst plays a crucial role not only in enhancing the catalytic activity, but also in determining the structure of the intermediate species. Copyright © 2007 John Wiley & Sons, Ltd.     

On the calculation of expectation values and transition matrix elements by coupled cluster method

Summary Finite order expressions are derived for expectation values and transition matrix elements within the framework of the coupled cluster method.     

Mild oxidation of alcohols with o-iodoxybenzoic acid (IBX) in water/acetone mixture in the presence of beta-cyclodextrin

A mild and efficient oxidation of alcohols with o-iodoxybenzoic acid (IBX) catalyzed by beta-cyclodextrin in a water/acetone mixture (86:14) has been developed. A series of alcohols were oxidized at room temperature in excellent yields.     

New sphingolipids and a sterol from a lobophytum species of the Indian ocean

Chemical investigation of a soft coral species of the genus Lobophytum has resulted in the isolation of three new sphingolipids--(2S,3S,4R)-2-nonadecanoylamino-octadecane-1,3,4-triol (1), (2S,3R,4E,8E)-[(2'R)-2'-hydroxyheptadecanoylamino]-4,8-octadecadiene-1,3-diol (2), 1-O-(beta-D-glucopyranosyl)-(2S,3R,4E,8E)-2-[(2'R)-2'-hydroxynonadecanoylamino]-9-methyl-4,8-octadecadiene-1,3-diol (3) and a sterol--(24S)-ergost-5-en-3beta,7beta-diol (4) along with the known sphingolipid--(2S,3R,4E,8E)-2-hexadecanoylamino-4,8-octadecadien-1,3-diol (5) which showed cytotoxicity against human peripheral blood mononuclear cells (PBMC).     

Structures of two ketals derived from a pentacyclic cage diketone

The structure of a compound derived from a symmetrical cage diketone in which one of the ketone C=O groups has been converted into a ketal is reported. An investigation into reasons for the selective functionalization resulted in the isolation of acis, cisoid, cis linear triquinane derivative in which both ketones are converted to ketals that share a transannular oxygen atom. Crystal data:2, monoclinic,P2₁/c,a=7.6298(9),b=7.673(3),c=22.125(3)Å,=97.59(1)°,V=1283.9(5)ų, andR=0.048 (1001 reflections);4, triclinic,P¯1,a=7.3864(9),b=9.6362(9),c=10.3889(9)Å,=75.749(6),=76.300(8), =83.100(8)°,V=694.8(4)ų, andR=0.088 (1284 reflections).     

Two new 5-deoxyflavones from Albizia odoratissima

Two new 5-deoxyflavones, 7,8-dimethoxy-3',4'-methylenedioxyflavone (1) and 7,2',4'-trimethoxyflavone (2) together with a known flavone, 7,4'-dimethoxy-3'-hydroxyflavone (3) were isolated from the rootbark of Albizia odoratissima. The structures of these new compounds were elucidated by electrospray ionization mass spectrometry (ESI-MS) and 1D and 2D-NMR spectral studies including (1)H-(1)H correlation spectroscopy (COSY), heteronuclear single quantum coherence (HSQC), heteronuclear multiple bond connectivity (HMBC) and nuclear Overhauser enhancement spectroscopy (NOESY).     

Synthesis of some new metal-containing polyurethanes

Some new metal-containing polyurethanes were synthesized from manganese and lead salts of mono(hydroxyethyl)phthalate by condensing them with hexamethylene diisocyanate and toluene diisocyanate in dimethylformamide as solvent. The polymers were characterized by viscometry, infrared spectroscopy and thermal analysis. The decomposition temperatures of these polymers were found to be significantly lower than those of metal-free polymers of similar structure. However, the rates of decomposition of metal-containing polyurethanes were lower than those of polyurethanes having no metal. Inherent viscosities in DMSO at 30° of these polyurethanes were low, ranging from 0.043 to 0.067.     

Sensitive and selective spectrophotometric method for the determination of trace amounts of osmium with 1,2,3-indanetrione monothiosemicarbazone

Summary Sensitive and Selective Spectrophotometric Method for the Determination of Trace Amounts of Osmium with 1,2,3-Indanetrione Monothiosemicarbazone A simple, sensitive and selective spectrophotometric method has been developed for the determination of osmium using 1,2,3-indane-trione monothiosemicarbazone (ITMT). The method is based on the colour reaction between ITMT and osmium(VIII) in hydrochloric acid (0.32–0.60 M) medium. The calibration graph for measurement at 440 nm is linear in the range 1.4–33.6g of osmium per 25ml, with a molar absorptivity of 6.43×10⁴l·mole^–1·cm^–1. The effect of interferences has been studied and the method applied to the determination of osmium in synthetic samples whose composition correspond to osmiridium or syserkite, with good results.