Molecular structure of p-anisaldehyde from electron diffraction

Jon Brunvoll, Robert K. Bohn, Istvan Hargittai

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

The molecular structure of p-anisaldehyde has been determined by electron diffraction. The experimental data are consistent with a planar model with a fairly low barrier torsional motion about the phenyl-methoxy linkage. This barrier is estimated to be between 3.5 and 12 kJ mol-1. Appreciable angular ring deformation has been detected with the angles adjacent to the methoxy and aldehyde groups being 121.2 ± 0.8 and 119.1 ± 0.7°, respectively. The mean CC bond length in the ring is 1.400 ± 0.003 A. The methoxy group has CO 1.420 ± 0.010 A and COC 122.0 ± 1.8° with the phenylmethoxy bond being 1.358 ± 0.012 A. The aldehyde group has CO 1.204 ±0.004 A and CCO 126.1 ± 1.1° with the phenyl-aldehyde bond being 1.461 ± 0.009 A. The bond lengths are τg and the bond angles τα parameters, and the uncertainties are estimated total errors.

Original languageEnglish
Pages (from-to)81-91
Number of pages11
JournalJournal of Molecular Structure
Volume129
Issue number1-2
DOIs
Publication statusPublished - Jun 1985

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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