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Volume 67, 1971
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E.s.r studies of the acetyl and benzoyl radicals


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].

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

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    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

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