Abstract

The NaBr−LnBr3 (Ln = La, Lu) binary systems and their individual components NaBr, LaBr3 and LuBr3 were studied by the Knudsen effusion cell mass spectrometry (KEMS) and the density functional theory (DFT). The complex molecules NaLnBr4, Na2LnBr5 and both positive Na2LnBr4 +, Na3LnBr5 + and negative NaLnBr5 − complex ions have been observed in saturated vapor along with the molecules and ions inherent to the pure components. Molecular parameters and energy characteristics of species were obtained by quantum-chemical calculations. The partial pressures of molecules have been obtained. The equilibrium constants of dissociation reactions of complexes were determined and the enthalpies of reactions have been calculated using the second and third laws of thermodynamics. The enthalpies of formation of complex molecules and ions have been obtained.

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