Proton-14N double resonance study of the structural phase transitions in the perovskite type layer compound (CH3NH3)2CdCl4

Using a proton-nitrogen double resonance technique we have determined the quadrupole coupling of¹⁴N in the room temperature orthorhombic (Cmca), the low temperature tetragonal (P4₂/ncm), and the monoclinic low temperature (P2₁/c) phases of (CH₃NH₃)₂CdCl₄. In all these phases all nitrogens are chemically equivalent demonstrating that the disorder in the orientations and H-bonding arrangements of the CH₃-NH₃ groups in theC m c a andP4₂/ncm phases is indeed dynamic and not static. In the monoclinic phase the¹⁴N quadrupole coupling constant equalse ² qQ/h=880 kHz and the asymmetry parameter is=0.20, wherease ² qQ/h=790 kHz,=0.1 in the tetragonal low temperature phase ande ² qQ/h=726 kHz,=0.21 in the room temperature orthorhombic phase. The observed increase in the¹⁴N quadrupole coupling constant on going from the orthorhombic phase to the tetragonal low temperature phase which is coupled with a simultaneous decrease in the asymmetry parameter can be understood in terms of a partial freezing in of the dynamic disorder in the C-N bond directions whereas the¹⁴N quadrupole coupling tensor in the monoclinic phase is characteristic of a frozen in C-N bond in a deformed lattice, where the N-H — Cl bonds are of different length.     

A laboratory investigation of ground erosion and dust generation by air cushion vehicles

The erosion process which occurs when an air cushion vehicle (ACV) passes over certain types of surface material has been investigated. Experiments were conducted in laboratory apparatus which simulates conditions under the edge of an ACV skirt.

Tests were carried out on three samples of dry erodible materials for a variety of cushion parameters. Representative photographs and data on time rates of erosion are presented. The results indicate that erosion rates are proportional to cushion pressure to the power 3/2 and that skirt angle, hoverheight and time since start of a run are of secondary importance. The results and analysis indicate that erosion rates are independent of particle size when this exceeds about 0.1 mm.     

Determination of elemental compositions by gas chromatography/time‐of‐flight mass spectrometry using chemical and electron ionization

Many metabolomic applications use gas chromatography/mass spectrometry (GC/MS) under standard 70 eV electron ionization (EI) parameters. However, the abundance of molecular ions is often extremely low, impeding the calculation of elemental compositions for the identification of unknown compounds. On changing the beam‐steering voltage of the ion source, the relative abundances of molecular ions at 70 eV EI were increased up to ten‐fold for alkanes, fatty acid methyl esters and trimethylsilylated metabolites, concomitant with 2‐fold absolute increases in ion intensities. We have compared the abundance, mass accuracy and isotope ratio accuracy of molecular species in EI with those in chemical ionization (CI) with methane as reagent gas under high‐mass tuning. Thirty‐three peaks of a diverse set of trimethylsilylated metabolites were analyzed in triplicate, resulting in 342 ion species ([M+H]⁺, [M–CH₃]⁺ for CI and [M]^{+ .} , [M–CH₃]^{+ .} for EI). On average, CI yielded 8‐fold more intense molecular species than EI. Using internal recalibration, average mass errors of 1.8 ± 1.6 mm/z units and isotope ratio errors of 2.3 ± 2.0% (A+1/A ratio) and 1.7 ± 1.8% (A+2/A ratio) were obtained. When constraining lists of calculated elemental compositions by chemical and heuristic rules using the Seven Golden Rules algorithm and PubChem queries, the correct formula was retrieved as top hit in 60% of the cases and within the top‐3 hits in 80% of the cases. Copyright © 2010 John Wiley & Sons, Ltd.     

Höhere Ableitungen konvexer Funktionen

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Schälbare Cohen-Macauley-Komplexe und ihre Parametrisierung

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