Jean Jacques Berger

Solubilities, densities and electrical conductivities of aqueous copper(I) and copper(II) chlorides in solutions containing other chlorides such as iron, zinc, sodium and hydrogen chlorides

Abstract With a view to industrial applications, solubilities, densities and electrical conductivities of aqueous copper(I) and copper(II) chlorides were measured in solutions containing other chlorides like those of iron, zinc, sodium and hydrogen. In these solutions copper(I) chloride shows a behaviour similar to that observed in pure CuClNaClHCl solutions. Increasing the FeCl2 concentration decreases the solubility of CuCl less than increasing the ZnCl2 concentrations does. Moreover, increasing total Cl− concentration increases CuCl solubility if Cl− is added as FeCl2 and decreases CuCl solubility if Cl− is added as ZnCl2. NaCl solubility remains unchanged by FeCl2 additions and is increased by ZnCl2 additions. Copper(II) chloride also shows in these solutions a behaviour similar to that observed in pure CuCl2NaClHCl solutions. FeCl3 additions decrease CuCl2 · 2 H2O solubility in a more drastic manner than ZnCl2 additions. However, NaCl additions have a much higher effect. These results can be qualitatively interpreted when taking into account the relative Cl− donor or acceptor character of the constituent chloride salts of the solution. FeCl2 additions slightly decrease the electrical conductivity of Cu(I) solutions. However, this can easily be compensated by a slight increase in temperature or in acidity.

A priori calculation of the 1s and 2s hole states in neon

Abstract The 1s and 2s electron binding energies in Ne are calculated from the Hartree-Fock and Fock-Dirac energies of Ne( 1 S 0 ), Ne + ( 2 S, 1s-hole) and Ne + ( 2 S, 2s-hole). Correlation energies are estimated from the work of Nesbet and of Oksuz and Sinanoǧlu. Close agreement with recent experimental data is found for both binding energies.

A priori calculation of atomic oscillator strengths using correlated transition states

Atomic oscillator strengths (length and velocity forms) are calculated for a series of transitions using transition Hamiltonians within the Hartree-Fock (HF) approximation. Two methods are implemented: the first defines a transition configuration (TC) corresponding to an average over the occupation numbers of initial and final configurations of the transition considered; the second defines a transition state (TS) corresponding to an average over the energies of the states involved in the transition. In general the TS results agree well with the corresponding HF values, while the TC results show larger discrepancies due to nonphysical self-interactions described in the text. An original method is described for obtaining a multiconfigurational transition state wavefunction. This method (MCTS) is applied to the evaluation of the oscillator strength of the transition Be(1s22s2 1S to 1s22s2p1P degrees ).