Molecular Geometry and Through-space and -bond Interaction of 1,4-Diarylbutane-1,4-diyl Radical Cation

Abstract

1,4-Diarylbutane-1,4-diyl radical cation (3^•+) is an important intermediate generated by electron-transfer reaction of cis- and trans-1,2-diarylcyclobutane (cis- and trans-1) or styrene derivatives (2). Nanosecond absorption spectra on independent laser flash photolyses (LFP) indicated that the anisyl derivative cis-1a, trans-1a, and 2a gave trans-3a^•+. Time-dependent density function theory (TD-DFT) calculation also supports this conduction.