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

Gustavo Portalone, György Schultz, Aldo Domenicano, István Hargittai

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54 Citations (Scopus)

Abstract

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
Volume197
Issue number4-5
DOIs
Publication statusPublished - Sep 18 1992

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ASJC Scopus subject areas

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

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