Molecular structure and ring distortion of phenol. An electron diffraction study

Gustavo Portalone, György Schultz, Aldo Domenicano, István Hargittai

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The molecular structure of gaseous phenol has been determined by electron diffraction. This has led to an accurate measurement of the internal ring angle at the place of substitution, α = 121.6° ± 0.2°, an important geometrical parameter that is hard to determine accurately by microwave spectroscopy or ab initio MO calculations. Comparison with solid state results suggests that the angle α decreases by about 1° in going from the free molecule to the crystal. This may reflect a change in the electronic properties of the OH substituent, caused by intermolecular hydrogen bonding in the solid state.

Original languageEnglish
Pages (from-to)482-488
Number of pages7
JournalChemical Physics Letters
Issue number4-5
Publication statusPublished - Sep 18 1992


ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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