Abstract
The temperature dependences of hydroxyl group proton and ring proton isotropic hyperfine coupling constants (IHFC) of 1,4-hydroquinone (HQ) and 1,4-dihydroxynaphthalene (NQ) cation radicals were measured by electron paramagnetic resonance spectroscopy. The spectral parameters were obtained in the temperature range 150–300 K using various solvents. The hydroxyl group proton IHFC data obtained were fitted to the theoretical temperature dependence model, yielding the hydroxyl group rotation barrier height and completely planar hydroxyl proton IHFC value. Experimental results are discussed with reference to theoretical density functional calculations. The new experimental rotation barrier heights for HQ and NQ cation radicals are 59±4 and 37±4 kJ mol-1 in nitromethane, respectively. © 1998 John Wiley & Sons, Ltd.
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