Electron Spin Resonance and Electronic Structure of the RĊHOR′ Ether Radicals

Abstract

Single crystals of inclusion compounds formed between urea and a series of aliphatic ethers were x irradiated and studied by electron spin resonance. The stable, x-ray-produced free radicals were all of the general type RĊHOR′. The approximate value for the spin density on the carbon atom is 0.70±0.10. The unpaired spin distribution is discussed in terms of the Hückel and approximate configuration interaction π-electron molecular orbital models and the valence bond method. The theoretical spin distributions are found to be in qualitative agreement with the experimental spin distribution.