Electron capture into few-electron heavy ions: Independent particle model

We apply the density matrix theory to re-investigate the radiative electron capture into heavy ions with one valence electron. Attention has been paid particularly to the magnetic sublevel population of the residual ions, as described in terms of alignment parameters. Simple method, based on an independent particle model, which takes into account the Pauli principle, is proposed for evaluating the alignment of the excited ionic states. By making use of this method, detailed calculations are performed for electron capture into (initially) hydrogen-like and lithium-like europium, gold and uranium ions, and are compared with the results of the multiconfiguration Dirac-Fock approach.As seen from the calculations and from the comparison with available experimental results, the independent particle model provides a good estimate for the alignment parameters of few-electron heavy ions. Therefore, our simple model may help to understand the basic properties of the X-ray emission from heavy, few-electron ions without the need for invoking sophisticated MCDF calculations.     

Measurement of the dynamic fracture toughness with notched PMMA specimen under impact loading

In the present study three-point-bend impact experiments were conducted using an instrumented Charpy pendulum with a laser displacement measurement to better understand the correlation between impact velocity and the dynamic effects observed on the load-time curves. The experiments were performed at impact velocities ranging from 1 to 4 m/s.The aim of this work is to measure the dynamic fracture toughness at high impact velocities where the classical method is limited by the inertial effects. The direct measurements of the specimen deflection are successfully used for the toughness evaluation. The results obtained with this method, which are compared to other studies, indicate that this approach seems promising for brittle materials such as PMMA.     

Influence of Solvent Polarity and Hydrogen Bonding on the Electronic Transition of Coumarin 120: A TDDFT Study

The characteristics of the electronic transition energy of Coumarin 120 (C120) and its H‐bonded complexes in various solvents have been examined by time‐dependent density functional theory (TDDFT) in combination with a polarizable continuum solvent model (PCM). Molecular structures of C120 and its H‐bonded complexes are optimized with the B3LYP method in PCM solution, and the dihedral angle H14? N13? C7? H15 is dependent on solvent polarity and the type of H‐bond. A linear correlation of the absorption maximum of C120 with the solvent polarity function is revealed with the PCM model for all solvents except DMSO. The experimental absorption maximum of C120 in nine solvents is well described by a PCM–TDDFT scheme augmented with explicit inclusion of a few H‐bonded solvent molecules, and quantitative agreement between our calculated results and experimental measurements is obtained with an average error of less than 2 nm. H‐bonding at three different sites shifts the absorption wavelength of C120 either to the blue or to the red, that is, a significant role is played by solvent molecules in the first solvation shell in determining the electronic transition energy of C120. The dependence on the H‐bonding site and solvent polarity is examined by using the Kamlet–Taft equation for solvatochromism.     

Solid-state structure of copper complexes of <Emphasis Type="Italic">N</Emphasis>-(2-carboxyethyl)chitosan

The sorptivity for ions of the Irving-Williams series (Zn²⁺, Cu²⁺, Co²⁺, Ni²⁺) was estimated for the chelate sorbent N-(2-carboxyethyl)chitosan cross-linked by nanosecond electron-beam irradiation. The maximum capacity reaches 3.7 mmol/g using a mixture of the appropriate sulfates at pH 4.5. The selectivity of copper sorption is 80%. The structure of the coordination sphere of the copper complexes with N-(2-carboxyethyl)chitosan was investigated by ESR spectroscopy. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 75, No. 5, pp. 635–639, September–October, 2008.     

Novel ring-cleaving reaction of 4-nitro-1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane with nucleophiles

When 4-nitro-AF4 is treated with nucleophiles such as alkoxides and cyanide, a novel ring opening, cyclophane destroying reaction is observed whereby, via an S_NAr mechanism, the nucleophile attacks the bridgehead aryl carbon vicinal to the nitro group with subsequent aryl-CF₂ bond cleavage.     

The first eigenvalue of the Dirac operator on Kähler manifolds

If M^2m is a closed Kähler spin manifold of positive scalar curvature R, then each eigenvalue λ of type r (r {1, …, [(m + 1)/2]}) of the Dirac operator D satisfies the inequality λ² ≥ rR₀/4r − 2, where R₀ is the minimum of R on M^2m. Hence, if the complex dimension m is odd (even) we have the estimation

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for the first eigenvalue of D. In the paper is also considered the limiting case of the given inequalities. In the limiting case with m = 2r − 1 the manifold M^2m must be Einstein. The manifolds S², S² × S², S² × T², P³( ), F( ), P³( ) × T² and F( ³) × T², where F( ³) denotes the flag manifold and T² the 2-dimensional flat torus, are examples for which the first eigenvalue of the Dirac operator realizes the limiting case of the corresponding inequality. In general, if M^2m is an example of odd complex dimension m, then M^2m × T² is an example of even complex dimension m + 1. The limiting case is characterized by the fact that here appear eigenspinors of D² which are Kählerian twistor-spinors.     

Electro-optic response of cubic liquid crystal compounds in Kerr cell geometry

We present the results of our investigations on the electro-optic response of the cubic phase liquid crystal compounds 1,2-bis-[4-n-octyloxy-benzoyl]-hydrazine (BABH8) and 4'-n-hexadecyloxy-3'-nitrobiphenyl-4-carboxylic acid (ANBC16) in Kerr cell geometry. The AC electric field response in the BABH8 cubic phase was found to be as small as that of the isotropic phase, even though there was a response in the adjacent smectic C (SmC) phase. The response in the SmC phase means that the BABH8 molecule itself has an electric field coupling ability, but this ability is strongly inactivated in the cubic phase. This inactivity to the AC fields was also found in the cubic phase of ANBC16. This behaviour could be explained by the small structural unit size of the cubic phase.