Fig. 5: Synthesis, structure, and electronic nature of the radical cation [2S]•+.
From: Boron-chalcogen heterocycles and linear tetraboranes from a cyclic tetra(amino)tetraborane
a One-electron oxidation of 2S to afford [2S][Al{OC(CF3)3}4]. b Molecular structure of [2S][Al{OC(CF3)3}4] in the solid state. Displacement ellipsoids shown at the 50% probability level; hydrogen atoms and ellipsoids of the cyclohexyl groups are omitted for clarity. c Spin density plot of [2S]•+ (isosurface plot at 0.004 a.u.), and d SOMO of [2S]•+ (isosurface plot at 0.04 a.u.), illustrating the importance of σ-electron delocalization effects (SMD-ωB97xd/def2-TZVP).
