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The microscopic structure of certain molten-salt-liquid-metal solutions has been investigated by quantum chemical method. It is indicated that (ⅰ) Li_(n+1)~(n+) or Li_(n+2)~(n+) ions form in Li-LiF melt. The valence electrons of Li atoms delocalize into all vacant orbitals of neighboring cations; (ⅱ) lithium fluoride, dissolving in liquid lithium, forms F~- ions in liquid metal, and the vacant orbitals of Li~+ ions of the salt take part in the delocalization with the electrons of metallic bond. It is this delocalizatin energy that makes this solution thermodynamically stable; (ⅲ) Mg_2~(2+) is unstable as compared with Mg~+ or Mg_2~+. The experimental results of mass-spectroscopy also indicate the existence of Mg~+ abd Mg_2~+, but not Mg_2~(2+). The state of Mg dissolving in molten salt is discussed based on the results mentioned above.
The microscopic structure of certain molten-salt-liquid-metal solutions has been investigated by quantum chemical method. It is indicated that (i) Li_ (n + 1) ~ (n +) or Li_ (n + 2) ~ form in Li-LiF melt. The valence electrons of Li atoms delocalize into all vacant orbitals of neighboring cations; (ii) lithium fluoride, dissolving in liquid lithium, forms F ~ - ions in liquid metal, and the vacant orbitals of Li ~ + ions of the salt take part in the delocalization with the electrons of metallic bond. It is this delocalizatin energy that makes this solution thermodynamically stable; (iii) Mg_2 2+ is unstable as compared with Mg ~ + or Mg_2 ~ +. The experimental results of mass-spectroscopy also indicate the presence of Mg ~ + abd Mg_2 ~ +, but not Mg_2 ~ (2+). The state of Mg dissolving in molten salt is discussed based on the results mentioned above.