On the basis of literature values of various spectroscopic quantities, the "experimental" five derivatives (1st to 5th) of the repulsive functions at the equilibrium distance were evaluated for the 20 alkali halide molecules, retaining the truncated Rittner model for the attractive forces. A self-consistency test showed that the used experimental values are reliable. Different analytical forms ...

Density-functional theory and second order Møller-Plesset perturbation theory calculations indicate that halogen atoms bond preferentially to halide substrate atoms on a series of alkali halide surfaces, rather than to the alkali atoms as might be anticipated. An analysis of the electronic structures in each system reveals that this novel adsorption mode is stabilized by the formation of textbo...

Microstructured optical fibers containing alkali halide scintillation materials of CsI(Na), CsI(Tl), and NaI(Tl) are presented. The scintillation materials are grown inside the microstructured fibers using a modified BridgmanStockbarger technique. The x-ray photon counts of these fibers, with and without an aluminum film coating are compared to the output of a collimated CdTe solid state detect...

The appropriateness of a suitably modified Varshni-Shukla potential has been tested for a series of alkali halide crystals by determining the numerical values of the potential parameters involved, using Hildebrand's equation of state and thereby computing a few lattice properties. Comparison between the different sets of theoretical and experimental results infers that the present theoretical v...

The D/H ratios of hydrogen gas in equilibrium with aqueous alkali halide solutions were determined at 25 °C, using a hydrophobic platinum catalyst. The hydrogen isotope effect between the solution and pure water changes linearly with the molality of the solution at low concentrations, but deviates from this linearity at higher concentration for all alkali halide solutions. The magnitude of the ...

Naturally occurring amino acids were identified as efficient co-catalysts for the alkali metal halide-mediated synthesis of cyclic carbonates from carbon dioxide and epoxides under mild, solvent free reaction conditions. The binary system of histidine/potassium iodide gave an appreciable turnover number of 535 for propylene oxide in 3 h. Detailed studies evaluating a variety of amino acids reve...

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The reduction of the charge of the species in molten salts, including the complete removal of the Coulomb interaction, appears to have the same eFect as an increase in the pressure on these systems. This observation leads to the prediction that a continuous pressure-induced structural change is to be found in the noble-metal halide melts at much lower pressures than those used to induce a simil...

A neutral heteroditopic pyridine N-oxide axle containing [2]rotaxane, synthesised via sodium cation templation, displays cooperative recognition of alkali metal cation-halide anion ion-pairs in an unprecedented axle component separated ion-pair binding fashion.