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Formation and Stability of the Gaseous Species LiAlCl 4 , Li 2 AlCl 5 and LiAl 2 Cl 7 – Mass Spectrometric and Quantum Chemical Studies
Author(s) -
Saal H.,
Milke E.,
Brünig C.,
Binnewies M.,
Köppe R.
Publication year - 2008
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.200800435
Subject(s) - chemistry , molecule , mass spectrometry , quantum chemical , evaporation , chemical stability , mass spectrum , inorganic chemistry , analytical chemistry (journal) , organic chemistry , thermodynamics , physics , chromatography
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)