The open archive for STFC research publications

Full Record Details

Persistent URL http://purl.org/net/epubs/work/38768
Record Status Checked
Record Id 38768
Title Aluminium chloride as a solid is not a strong Lewis acid
Abstract Aluminum chloride is used extensively as Lewis acid catalyst in a variety of industrial processes, including Friedel-Crafts and Cl/F exchange reactions. There is a common misconception that pure AlCl3 is itself a Lewis acid. In the current study, we use experimental and computational methods to investigate the surface structure and catalytic properties of solid AlCl3. The catalytic activity of AlCl3 for two halide isomerization reactions is studied and compared with different AIF(3) phases. It is shown that pure solid AlCl3 does not catalyze these reactions. The (001) surface of crystalline AlCl3 is the natural cleavage plane and its structure is predicted via first principles calculations. The chlorine ions in the outermost layer of the material mask the Al3+ ions from the external gas phase. Hence, the experimentally found catalytic properties of pure solid AlCl3 are supported by the predicted surface structure of AlCl3.
Organisation CCLRC , CSE , CSE-CMSG
Funding Information
Related Research Object(s):
Licence Information:
Language English (EN)
Type Details URI(s) Local file(s) Year
Journal Article J Phys Chem B 110 (2006): 8314-8319. doi:10.1021/jp0601419 2006