Intramolecular Charge Transfer in Aromatic Radicals : Theoretical Investigation from the hfs Line Structure in the ESR Spectra

概要

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A theoretical investigation is made of the rate of intramolecular transfer of the odd electron between the two aromatic rings in mononegative ions, such as [chemical formula]. In these radicals, the two aromatic rings are considered to be labeled by the magnetic nuclei ^<14>N. By using the Bloch equation analysis of the ^<14>N hfs line structure, we can estimate the lifetime of self-trapping of the odd electron on one aromatic ring. For this charge transfer one possible mechanism is proposed : that the translational motion of the polar solvent molecules surrounding the ion radical gives rise to an oscillating effective potential, under the influence of which the odd electron transfers between the two rings. The numerical results are compatible with experiment.
理論物理学刊行会の論文
1966-06-25