Electron spin resonance of monomer and dimer cations of 1,4-, 1,5- and 1,8-dimethylnaphthalenes

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Abstract
The electron spin resonance spectra of the cations generated by the oxidation of 1,4-, 1,5- and 1,8-dimethylnaphthalenes have been observed. The 1,4 monomer cation changed to the dimer cation on lowering the temperature. The values of the hyperfine splitting constants in the 1,4 dimer cation differ considerably from one-half the values of those in the monomer. To account for the difference, two sandwich-type structures were assumed and Hückel molecular orbital calculations, which include the parameters to represent the feature of the dimer molecule, were carried out. Self-consistent field molecular orbital calculations have also been performed on the 1,4 dimer cation.