2,5,8,11-Tetra-tert-butyl-peri-xanthenoxanthene and its dication spectroelectrochemistry and model calculations on a dioxa-22-π-system

Abstract

Spectroelectrochemistry of 2,5,8,11-tetra-tert-butyl-peri-xanthenoxanthene 1 yields the UV/VIS spectra of the corresponding radical cation 1+ and dication 12+. The bathochromic shift for the dication 12+ relative to 1 and to the isoelectronic hydrocarbon anthanthrene (2) can be understood by quantum mechanical calculations (ab initio, AM1) of model structures.