Formation and Stability of the Gaseous Species LiAlCl4, Li2AlCl5 and LiAl2Cl7 – Mass Spectrometric and Quantum Chemical Studies

✍ Scribed by H. Saal; E. Milke; C. Brünig; M. Binnewies; R. Köppe

• Publisher: John Wiley and Sons
• Year: 2008
• Tongue: English
• Weight: 365 KB
• Volume: 2008
• Category: Article
• ISSN: 1434-1948
• DOI: 10.1002/ejic.200800435

✦ Synopsis

Abstract

The formation of the gaseous species LiCl, Li~2~Cl~2~, AlCl~3~ and LiAlCl~4~ was shown by mass spectrometric studies of the reaction of solid LiCl with gaseous AlCl~3~ at 575 °C. Besides AlCl~3~ and Al~2~Cl~6~, the gas complexes LiAlCl~4~, Li~2~AlCl~5~ and LiAl~2~Cl~7~ were formed during the evaporation of liquefied LiAlCl~4~. The structures of the molecules under discussion were computed by quantum chemical DFT studies. Thermodynamic data of these molecules were determined by experimental methods (mass spectrometry), and the results were confirmed by theoretical calculations. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)