Jump to main content
Jump to site search

Volume 67, 1971
Previous Article Next Article

E.s.r studies of the acetyl and benzoyl radicals

Abstract

The acetyl and benzoyl radicals have been prepared by the reaction, RCOCl + Na → RĊO + NaCl, and trapped in a variety of matrices at 77 K using a rotating cryostat. Their e.s.r. spectra have been observed at 77 K and at temperatures up to 200 K. The principal values of the g-tensor and carbon-13 hyperfine coupling tensors of the carbonyl atom have been obtained for both radicals. The principal values of the proton and carbon-13 hyperfine coupling tensors have also been obtained for the methyl group in the acetyl radical. Analysis of the results shows that both radicals are σ-type radicals with an ∠RCO angle of about 130°. The unpaired electron is located primarily in a sp-hybrid orbital on the carbonyl carbon atom, but there is also an appreciable spin density on the adjacent atom of the substituent group R and on the oxygen atom. Comparison of the present results with those published for the formyl radical and the σ-radical, HOOCCH2ĊO, from malonic acid shows that the structures of the free radical centres are very similar for all four acylradicals. The spin distribution in each radical is approximately[graphic ommitted].

Back to tab navigation

Article type: Paper
DOI: 10.1039/TF9716701587
Trans. Faraday Soc., 1971,67, 1587-1597

  •   Request permissions

    E.s.r studies of the acetyl and benzoyl radicals

    J. E. Bennett and B. Mile, Trans. Faraday Soc., 1971, 67, 1587
    DOI: 10.1039/TF9716701587

Search articles by author

Spotlight

Advertisements