Extended line positions,intensities, empirical lower state energies and quantum assignments of NH3 from 6300 to 7000 cm−1

Nearly 4800 features of ammonia between 6300 and 7000 cm^?1 with intensities ≥4×10^?24 cm^?1/(molecule·cm^?2) at 296 K were measured using 16 pure NH₃ spectra recorded at various temperatures (296–185 K) with the McMath–Pierce Fourier Transform Spectrometer at Kitt Peak National Observatory, AZ. The line positions and intensities were retrieved by fitting individual spectra based on a Voigt line shape profile and then averaging the values to form the experimental linelist. The integrated intensity of the region was 4.68×10^?19 cm^?1/(molecule·cm^?2) at 296 K. Empirical lower state energies were also estimated for 3567 absorption line features using line intensities retrieved from 10 spectra recorded at gas temperature between 185 and 233 K. Finally, using Ground State Combination Differences (GSCDs) and the empirical lower state energy estimates, the quantum assignments were determined for 1096 transitions in the room temperature linelist, along with empirical upper state energies for 434 levels. The assignments correspond to seven vibrational states, as confirmed from recent ab initio calculations. The resulting composite database of ¹⁴NH₃ line parameters will provide experimental constraints to ab initio calculations and support remote sensing of gaseous bodies including the atmospheres of Earth, (exo)planets, brown dwarfs, and other astrophysical environments.     

A new totally reflecting X-ray fluorescence spectrometer with detection limits below 10?11 g

Summary A new type of energy dispersive X-ray-fluorescence spectrometer with totally reflecting sample support is presented. At this instrument the incident beam is reflected twice before it is directed towards the sample support. The detection limits in diluted solutions are below 0.1 ppb for about 20 metals. The influence of the matrix is discussed.

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Ein neuartiges totalreflektierendes Röntgenfluorescenz-Spektrometer mit Nachweisgrenzen unter 10^–11 g

Zusammenfassung Ein neuer Typ eines energiedispersiven Röntgenfluorescenzspektrometers mit totalreflektierendem Probenträger wird vorgestellt. Bei diesem Gerät wird der einfallende Strahl zweimal an Quarzspiegeln reflektiert, bevor er auf den Probenträger gelenkt wird. Die Nachweisgrenzen liegen bei günstiger Matrix für 20 Metalle unter 0,1 ppb. Der Einfluß der Matrix wird diskutiert.

     

Properties of interfacial films formed by succinylated legumin from faba beans (Vicia faba L.)

The influence of succinylation on the interfacial behaviour and emulsifying properties of the main storage protein (legumin) from faba beans was studied. Results of surface tension measurements and surface shear rheometry and properties of n-decane-water emulsions indicate an increased interfacial activity by succinylation whereby the 65% succinylated legumin was the most active derivative.

The equilibrium surface pressure Π_e increased from 16.6 to 20.21 mN m⁻¹ and the critical association concentration, i.e. the subphase concentration at which the plateau of Π_e was reached, strongly decreased with succinylation from 76.6 × 10⁻⁶ to 0.84 × 10⁻⁶ g ml⁻¹. Spread and adsorbed films of legumin exhibited purely viscous behaviour under shear stress whereby the viscosity strongly increased with succinylation (from 7.93 to 93.36 μN s m⁻¹). The droplet size of legumin-stabilized emulsions decreased and the coalescence stability increased with succinylation. The comparison with acetylated legumin supports the view that the dissociated but rather globular subunit is the most interfacially active component of acylated legumin.     

Application of fixed-nuclei scattering theory to electron methane elastic and inelastic differential cross sections at 10 eV impact energy

Quantum mechanical calculations are reported for electron-methane elastic scattering and rotational excitation cross sections at 10 eV impact energy. The calculations employ a fixed-nuclei close coupling formalism with full incorporation of symmetry and are used to test previous laboratory-frame calculations employing a direct coupling approximation. Good agreement is obtained. Additional comparisons to previous theoretical and experimental work are also presented, and the contributions of the various symmetries to the cross sections are analyzed in terms of representatve matrix elements of the interaction potential.     

Converged close coupling calculations for V-V energy transfer: 2HF(v=1)→HF(v=2)+HF(v=0)

We report accurate dynamical calculations for V-V energy transfer in the collision of two HF(v=1) molecules for a realistic potential energy surface.