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'Liquid structure' in keywords Facet   Publication Year 2000  [X]
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1Author    Z. Akdeniz, M. P. TosiRequires cookie*
 Title    Structure and Energetics of Clusters Relevant to Thorium Tetrachloride Melts  
 Abstract    We study within an ionic model the structure and energetics of neutral and charged molecular clusters which may be relevant to molten ThCl 4 and to its liquid mixtures with alkali chlorides, with reference to Raman scattering experiments by Photiadis and Papatheodorou. As stressed by these authors, the most striking facts for ThCl 4 in comparison to other tetrachloride compounds (and in particular to ZrCl 4) are the appreciable ionic conductivity of the pure melt and the continuous structural changes which occur in the melt mixtures with varying composition. After adjusting our model to data on the isolated ThCl 4 tetrahedral molecule, we evaluate (i) the Th 2 Cl 8 dimer and the singly charged species obtained from it by chlorine-ion transfer between two such neutral dimers; (ii) the ThCl 6 and ThCl 7 clusters both as charged anions and as alkali-compensated species; and (iii) various oligomers carrying positive or negative double charges. Our study shows that the characteristic structural properties of the ThCl 4 compound and of the alkali-Th chloride systems are the consequence of the relatively high ionic character of the binding, which is already evident in the isolated ThCl 4 monomer. 
  Reference    Z. Naturforsch. 55a, 772—778 (2000); received August 13 2000 
  Published    2000 
  Keywords    Ionic Clusters, Liquid Structure, Molten Salts 
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 TEI-XML for    default:Reihe_A/55/ZNA-2000-55a-0772.pdf 
 Identifier    ZNA-2000-55a-0772 
 Volume    55