Abstract

The origin of the variation in the proton hyperfine coupling constants of various methyl substituted p-benzosemiquinones are investigated using unrestricted Hartree-Fock wave functions in the Pariser-Parr-Pople approximation scheme for the integrals. Three different models were studied and it is concluded that the sensitivity of the electron spin resonance spectrum to solvent arises from a combination of the molecular asymmetry and an asymmetric solvation.

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