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| Content Provider | Royal Society of Chemistry (RSC) |
|---|---|
| Author | Mile, B. Bennett, J. E. |
| Copyright Year | 1971 |
| 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]. |
| Starting Page | 1587 |
| Ending Page | 1597 |
| Page Count | 11 |
| File Format | |
| ISSN | 00147672 |
| Volume Number | 67 |
| Journal | Transactions of the Faraday Society |
| DOI | 10.1039/TF9716701587 |
| Language | English |
| Publisher | Royal Society of Chemistry |
| Access Restriction | Open |
| Subject Keyword | Group R Sigma bond Benzoyl group Carbon-13 Substituent Carbon Hyperfine structure Carboxylic acid Methyl group Cryostat Proton Free-radical halogenation Carbonyl group Nucleophile |
| Content Type | Text |
| Resource Type | Article |
| Subject | Physics and Astronomy Physical and Theoretical Chemistry Engineering |
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