Abstract

Using ENDOR we have measured the total hyperfine coupling tensors for all seven protons of th benzyl radical in an X-irradiated single crystal of potassium-hydrogen bisphenylacetate. Analysis of the anisotropic couplings confirms the planarity and C 2V symmetry of the radical, and shows that the HCH bond angle at the methylene group is 118 ± 2°. The magnitudes of the anisotropic couplings are related to the spin density distributions deduced from isotropic coupling constants and molecular orbital calculations; the discrepancies are discussed.

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