From valance trapped to valence delocalized by bridge state modification in bis(triarylamine) radical cations: Evaluation of coupling matrix elements in a three-level system

The visible/near-infrared (vis/NIR) spectra of four bis(triarylamine) radical cation mixed valence systems with varying bridge units in the framework of the generalized Mulliken-Hush theory are analyzed. A three level model is applied by using computational AM1-CI derived, experimental transition moments and energies to obtain electronic coupling matrix elements.