Wigner function of the rotating Morse oscillator

We present an analytical expression of the Wigner distribution function (WDF) for the bound eigenstates of the rotating Morse oscillator (RMO). The effect of rotational excitation on the WDF on the quantum phase space has been demonstrated. This effect has been visualized by a series of contour diagrams for given rovibrational quantum states. Rotations of the molecule have been proved to qualitatively and quantitatively change the Wigner function. As a result, the most probable distance between atoms in a rotating molecule changes, and depends on the parity of the vibrational quantum number. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005     

Influence of the bilayer thickness of nanostructured multilayer MoN/CrN coating on its microstructure,hardness, and elemental composition

Multilayer nanostructured coatings consisting of alternating MoN and CrN layers were obtained by vacuum cathode evaporation under various conditions of deposition. The transition from micron sizes of bilayers to the nanometer scale in the coatings under investigation leads to an increase in hardness from 15 to 35.5 GPa (with a layer thickness of about 35 nm). At the same time, when the number of bilayers in the coating decreases, the average Vickers hardness increases from 1267 HV_0.05 to 3307 HV_0.05. An increase in the value of the potential supplied to the substrate from–20 to–150 V leads to the formation of growth textures in coating layers with the [100] axis, and to an increase in the intensity of reflections with increasing bilayer thickness. Elemental analysis carried out with the help of Rutherford backscattering, secondary ion mass spectrometry and energy dispersion spectra showed a good separation of the MoN and CrN layers near the surface of the coatings.     

Studies on the Thermal Decomposition of Benzoic Acid and its Derivatives

The thermal decomposition of benzoic acid and its derivatives containing —OH, —NH₂, —COOH and —SO₃H functional groups as substituents in ortho, meta and (or) para position together with sulphanilic acid was investigated. The analyses were performed using derivatograph, sample mass ranged from 50 to 200 mg, heating rates from 3 to 15 K min⁻¹ and static air atmosphere. It has been established that thermal decomposition of these aromatic acids proceeds through three common stages. In the first stage the phase transformations occur. The following two stages are due to the formation of intermediate products of the thermal decomposition and their combustion. Principal component analysis (PCA) was applied for evaluation of the results. Thanks to this method the influence of specific functional groups and their positions on the benzene ring on the thermal decomposition of the compounds under investigation was determined. This revised version was published online in July 2006 with corrections to the Cover Date.     

A nonlinear Hamiltonian describing the rovibrational states of diatomic molecules

Summary On the basis of the deformable body model and harmonic potential approximation a nonlinear quantum-mechanical Hamiltonian describing rovibrational states of diatomic molecules has been derived. The obtained formula is applied in evaluation of molecular constants and for prediction of rovibrational and rotational spectra of the selected two-atomic systems giving quite satisfactory reproduction of the data values using only two molecular and one semiempirical parameters. This additional parameter is responsible for the change of curvature of internuclear potential in the excited rotational states, and may be viewed as an indicator of molecular susceptibility to rotation induced dissociation of a molecule.     

Formation and cycloaddition reactions of ferrocenyl nitrones

Ferrocenyl nitrones derived from aldehydes or oximes react with electron deficient alkenes to give ferrocenylisoxazolidines. 5‐Methoxycarbonylisoxazolidines are further transformed to ferrocenyl‐pyrrolidinones by reductive cleavage. The regio‐ and stereoselectivity of the reactions are discussed.     

Surface characteristics of glass fibres covered with an aluminum layer after a chemical modification process using secondary ion mass spectrometry (SIMS) and atomic force microscopy (AFM)

Results show investigations of surface of modified glass fibres (before and after chemical modification of their surface), which are candidates for future original matrix-less reference material for volatile ethene analytes (C₂H₄). Used analytical methods are secondary ion mass spectrometry and atomic force microscopy. The investigations were aimed at observation of changes and processes which occurred on the surface of glass fibres covered with an aluminum layer and constituting an ethane carrier.The paper describes the procedure of chemical modification of the surface of 3 cm segments of glass fibres covered with an aluminum layer (660/680 μm, external diameter of quartz/external Al diameter), a surfactant constituting a source of ethene. Ethene (a measured constituent) in a standard gas mixture is obtained during the process of controlled thermal decomposition of a surface compound in a stream of rarefied gas (such kind of mixture is called matrix-less reference material).     

Thermogravimetric investigation ofwastes from electrical and electronic equipment (WEEE)

Two components of electronic wastes (sample A – a mixture of three types of printed circuit boards, sample B – a mixture of electronic junctions with metal wires) were investigated using thermogravimetric analysis (TG). Thermogravimetric and derivative thermogravimetric data (TG and DTG) give information on the thermal stability of A and B samples and allows finding the correct conditions for their degradation using pyrolysis in an experimental system, built on the laboratory scale for utilization of hazardous wastes. X-ray fluorescence measurements prove that brominated flame retardant is present in sample A, whilst chlorinated flame retardant is a probable component of sample B. Preliminary liquid chromatography of oil products obtained as a result of thermal waste degradation shows that the hydrocarbons released during pyrolysis could be used as a fuel.     

Quantum efficiency of the luminescence of Eu(III), Tb(III) and Dy(III) in aqueous solutions

Summary The luminescence quantum efficiency of Eu(III), Tb(III) and Dy(III) in chloride solutions as well as complexed by aminopolyacetic acids was determined. An interpretation of the observed dependences in the system investigated has been proposed.

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Die Lumineszenz-Quantenausbeute von Eu(III), Tb(III) und Dy(III) in wäßrigen Lösungen

Zusammenfassung Die Lumineszenz-Quantenausbeute von Eu(III), Tb(III) und Dy(III) in Chloridlösung und in Komplexen mit Aminopolyessigsäuren wurde bestimmt. Eine Interpretation der beobachteten Abhängigkeiten im untersuchten System wurde vorgeschlagen.

     

Einige Bemerkungen zur Struktur des Kohlensuboxidpolymeren

Zusammenfassung Das Quarz-Ultraviolettspektrum und das Infrarotspektrum des Polymeren (C₃O₂) _n das man bei Zimmertemperatur in geringer Konzentration durch Blockpolymerisation erhalten hat, wurde untersucht. Im Infrarotspektrum stellte man fest, daß eine Gruppe C=O im Polymeren vorhanden ist. Außerdem bemerkte man eine Absorption des in Chloroform gelösten Polymeren um 255 und 308 nm; sie wird als Übergang der CO-Gruppe durch deren Aufspaltung infolge einer Schwingungskopplung in der Struktur des Dimertyps des Kohlensuboxidpolymeren (C₃O₂) _n interpretiert. So können wir eine Dimerstruktur für das Polymer (C₃O₂) _n , das wir bei niedrigen Temperaturen gewonnen haben, vorschlagen. Weiters wird der Übergang dieser Struktur in die vonBlake diskutiert.

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The UV and IR spectra of (C₃O₂) _n polymer were investigated. The (C₃O₂) _n polymer was obtained from C₃O₂ by block-polymerization at room temperature in small concentrations. The UV spectrum of the polymer in CHCl₃ has maxima at 255 nm and 308 nm. These two bands are interpreted by the vibronic splitting of the n—*·transition of groups in the dimer. A dimeric structure of the (C₃O₂) _n polymer obtained at room temperature is postulated. The transition between dimeric andBlake's structure is discussed.

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Supersymmetry quantum mechanics and the asymptotic iteration method

A relation between the supersymmetry approach and the asymptotic iteration method is presented. A new form of the wave function is introduced. This approach has been successively employed to solve the Schr?dinger equation for the Kratzer and Morse oscillators. The exact energy levels and the corresponding eigenfunctions have been calculated.