Electron diffraction study of the nitrogen dioxide molecular structure at 294, 480 and 691 K

Konstantin B. Borisenko, Mária Kolonits, Béla Rozsondai, István Hargittai

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Gas-phase electron diffraction experiments have been carried out on NO2 at three temperatures, viz., 294, 480, and 691 K. Applying the necessary vibrational corrections, the equilibrium structure (r(e)) of NO2 was determined from the 480 K data where it was the sole component of the vapor, 1.195(3) Å and 133.7(2)°. This information was then utilized in the analysis of the mixture of NO2 (82%) and N2O4 (18%) at 294 K. The N-O bond of NO2 is shorter than that of N2O4 by 0.008 Å, and the O-N-O angle opens slightly in the dimer as compared with NO2. The barrier height to internal rotation in N2O4 is estimated to be about 40 kJ mol-1 from the electron diffraction data. There is a slight increase of the average N-O bond length (r(g)) at higher temperatures.

Original languageEnglish
Pages (from-to)121-131
Number of pages11
JournalJournal of Molecular Structure
Publication statusPublished - Sep 30 1997



  • Dinitrogen tetraoxide
  • Electron diffraction
  • Molecular geometry
  • Nitrogen dioxide
  • Temperature dependence

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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