Blatter diradicals with planar chirality: Investigation of through-space spin-spin coupling in regioisomeric derivatives of [2.2]paracyclophane

Abstract

To harness planar chirality and topological through-space spin coupling of the [2.2]paracyclophane scaffold, three regioisomeric benzo[e][1,2,4]triazinyl diradicals are investigated by spectroscopic (UV-vis, ECD, EPR), electrochemical, XRD and magnetic methods. VT-EPR analysis revealed modest preference for open-shell singlet ground state. Experimental data are augmented with DFT results.