Electron spin resonance of RCHCOR'radicals in X‑irradiated ketone‑urea inclusion compounds
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Date
1965-04-15
Authors
Griffith, O. H.
Journal Title
Journal ISSN
Volume Title
Publisher
Journal of Chemical Physics
Abstract
Single crystals of six inclusion compounds formed between aliphatic ketones and urea were x irradiated
at room temperature, and the free radicals produced were investigated by electron spin resonance. The six
ketones investigated were 2-nonanone, 6-undecanone, 3-tetradecanone, 2-undecanone, 2-dodecanone, and
3-undecanone. The long-lived free radicals observed in all of these compounds (RCHsCHCOR') are formed
by the removal of one a proton from the parent ketone. The unpaired spin density in the 2p orbital adjacent
to the carbonyl group is 0.81±0.08. A contour plot of the spin density as a function of the molecular orbital
parameters is given. In qualitative agreement with the ESR results, the molecular orbital methods predict
the position of maximum spin density to be adjacent to the carbonyl group.
Description
5 pages
Keywords
Citation
Griffith, O. H. (1965) Electron spin resonance of RCHCOR'radicals in X‑irradiated ketone‑urea inclusion compounds, J. Chem. Phys. 42, 2644‑2650.