ESR, H-1-ENDOR, D-ENDOR, C-13-ENDOR AND TRIPLE RESONANCE STUDIES OF ALKYL SUBSTITUTED PHENALENYL RADICALS

A variety of alkyl substituted phenalenes, including deuterated and 13C labeled compounds, was synthesized via an organometallic reaction. From the respective paramagnetic oxidation products, the phenalenyls, ESR spectra and proton, deuterium and 13C ENDOR resonances could be obtained. From the electron-nuclear-nuclear-TRIPLE resonance experiments the signs of all hyperfine coupling constants could be determined. An interpretation of the spin density distributions on the basis of the hyperconjugation model is given. The results of HMO-McLachlan andINDO calculations are reported. © 1979.