The molecular structure of barium dibromide: An electron diffraction and quantum chemical study

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Abstract

The molecular structure of barium dibromide was determined by gas-phase electron diffraction, ab initio quantum chemical calculations, and joint electron diffraction/vibratonal spectroscopic analyses. All techniques yield consistently an unambiguously bent geometry. The following geometrical parameters were obtained: rg(Ba-Br) 2.911 ± 0.006 Å, re(Ba-Br) 2.899 ± 0.007 Å, ∠aBr-Ba-Br 137.0 ± 2.5° and ∠eBr-Ba-Br 137.1 ± 4.9°.

Original languageEnglish
Pages (from-to)241-246
Number of pages6
JournalJournal of Molecular Structure
Volume567-568
DOIs
Publication statusPublished - Jun 13 2001

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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