The local geometry, energy stabilization, and pseudolocal t 1u vibration mode of the Cu + impurity in the alkali halide crystals have been investigated with the ab initio Perturbed Ion (aiPI) cluster-in-the-lattice methodology. The electronic structure of diierent clusters, containing up to 179 ions, has been computed for 9 Cu:AX systems (A: The calculations clearly show that the nearest-neighb...

The amination of aryl halides in the presence of inexpensive and air-stable alkali metal hydroxide bases and Pd[P(t-Bu)3]2 as catalyst gave arylamines in high yields. The reactions were conducted with a catalytic amount of cetyltrimethylammonium bromide as phase-transfer agent and either aqueous hydroxide or solid hydroxide in the presence of water. This combination of alkali metal hydroxide ba...

Thermal conductivity of molten alkali halides and their mixtures with common anions is measured as a function of temperature. Use is made of the most reliable method of coaxial cylinders made of platinum, with radiation heat transfer being taken into account. It is found to vary directly with temperature. Expressions for its temperature dependence are derived from the experimental observations....