The Electronic Spectra and the Intermolecular Interaction of Würster’s Ions in Crystals

Abstract

Abstract The electronic spectra and the intermolecular interaction of Würster’s radical have been studied for the dimer state and for the crystalline states. The polarization properties of the excited states have been investigated in detail, and the longest wavelength absorption band of the dimer has been established as having a charge-transfer character. The strength of the charge-transfer band and the shift of the monomer band in the dimer or in the crystalline states are shown to be intimately correlated with the strength of the intermolecular interactions between the stacked radicals. A theoretical analysis of the excited state of the dimer and the crystals is presented; the results are in good agreement with the experimental findings.