Temperature dependence of charge transferred by dislocation in Kcl: Ba crystals

Abstract

The electrical charge assosiated with dislocation motion in KCl:Ba has been studied within the interval from 77 to 292K using on indentation method. The comparison of the potential difference values at 77 and 292K was performed on condition that the impression diagonals were roughly equal. The kinetics of the potential change was studied.     

Synthesis and conformational properties of substituted 1,4,2-oxazasilinanes: low temperature NMR study and quantum chemical calculations

A number of N-substituted 2,2-dimethyl-1,4,2-oxazasilinanes 1 were synthesized and studied by variable temperature dynamic ¹H and ¹³C NMR spectroscopy, room temperature ¹⁵N NMR spectroscopy and theoretical calculations at the DFT and MP2 levels of theory. Both the preferred conformers were assigned and the barrier to the ring inversion of the saturated six-membered ring determined. From 1 the corresponding methyl iodide salts were produced, their structure studied by X-ray analysis and found to be in excellent agreement with the results of the theoretical calculations.     

On Fourier–Haar coefficients of the function from the Marcinkiewicz space

The main objective of the paper is to describe asymptotic behaviour of Fourier–Haar coefficients of functions from Marcinkiewicz spaces. We also discuss the Cesàro summability and the almost convergence of sequences related to Fourier–Haar coefficients and generalise a result from [17]. Some analogues of Mercer's theorem for Fourier coefficients are proved.     

Triisopropylsilylethynyl‐Functionalized Graphene‐Like Fragment Semiconductors: Synthesis,Crystal Packing,and Density Functional Theory Calculations

Tri‐isopropylsilylethynyl (TIPS)‐functionalized polycyclic aromatic hydrocarbon (PAH) molecules incorporate structural components of graphene nanoribbons and represent a family of model molecules that form organic crystal semiconductors for electronic devices. Here, we report a series of TIPS‐functionalized PAHs and discuss their electronic properties and crystal packing features. We observe that these soluble compounds easily form one‐dimensional (1 D) packing arrangements and allow a direct evolution of the π stacking by varying the geometric shape. We find that the aspect ratio between length and width plays an important role on crystal packing. Our result indicates that when the PAH molecules have zigzag edges, these can provide enough volume for the molecules to rotate and reorient, alleviating the unfavorable electrostatic interactions found in perfectly cofacial π–π stacking. Density functional theory calculations were carried out to provide insights into how the molecular geometric shape influences the electronic structure and transport properties. The calculations indicate that, among the compounds studied here, “brick‐layer” stacks provide the highest hole mobility.     

Reaction of bicyclo[2.2.1]hept‐5‐ene‐endo‐2‐ylmethylamine and nitrophenyl glycidyl ethers

Reactions of 2‐nitro‐, 4‐nitro‐ and 2,4‐dinitrophenylglycidyl ethers with bicyclo[2.2.1]hept‐5‐ene‐endo‐2‐ylmethylamine in isopropanol have been studied. The mixtures of products were chromatographed on silica gel and eluted with ether or ether/2‐propanol (1:1), the structures of individual products have been confirmed by IR spectra, NMR ¹H, ¹³C spectra, using experiments that involve homonuclear and heteronuclear scalar coupling interactions (COSY, TOCSY, HMQC, HMBC), and mass spectrometry. Amino alcohols as the major products of regioselective aminolysis of epoxides (according to the Krasusky rule) have been obtained. The minor products were the compounds with two hydroxyalkyl fragments at the nitrogen atom. In case of dinitrophenylglycidyl ether, it was the minor product of aryl nucleophilic substitution (S_NAr). The abnormal course of aminolysis has been confirmed by the results of quantum‐chemical calculations of activation barries and Free Gibbs energies of the competitive reactions of epoxides (at the B3LYP/6‐311 + G(d,p) level of theory). Copyright © 2010 John Wiley & Sons, Ltd.     

Very-large-mode-area photonic bandgap Bragg fiber polarizing in a wide spectral range

A design of a polarizing all-glass Bragg fiber with a microstructure core has been proposed for the first time. This design provides suppression of high-order modes and of one of the polarization states of the fundamental mode. The polarizing fiber was fabricated by a new, simple method based on a combination of the modified chemical vapor deposition (MCVD) process and the rod-in-tube technique. The mode field area has been found to be about 870 μm2 near λ=1064 nm. The polarization extinction ratio better than 13 dB has been observed over a 33% wavelength range (from 1 to 1.4 μm) after propagation in a 1.7 m fiber piece bent to a radius of 70 cm.