Comprehensive study of the structure of aluminum trihalides from electron diffraction and computation

Zoltán Varga, Mária Kolonits, Magdolna Hargittai

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

Abstract

The molecular geometries of the complete series of aluminum trihalides, AlX 3 (X = F, Cl, Br, and I), are discussed based on new gas-phase electron diffraction (GED) experiments (AlCl 3 and Al 2Cl 6) and on the reanalysis of our previous GED data (for the rest of the series) with an improved and analogous treatment of the temperature effect on the average bond lengths. This is the first time that all structure analyses are based on GED experiments of homogeneous vapors; either as pure monomers or dimers. The structures of other small oligomers as well as those of the crystals of aluminum trihalides are also discussed.

Original languageEnglish (US)
Pages (from-to)879-893
Number of pages15
JournalStructural Chemistry
Volume23
Issue number3
DOIs
StatePublished - Jun 1 2012
Externally publishedYes

Keywords

  • AlBr
  • AlCl
  • AlF
  • AlI
  • Aluminum tribromide
  • Aluminum trichloride
  • Aluminum trifuoride
  • Aluminum triiodide
  • Dimer
  • Electron diffraction
  • Monomer
  • Quantum chemical calculations

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