Figure 1.

A) Synthesis of 2; B) Molecular structure of 2 in the solid state (thermal ellipsoids at the 50 % probability level, one molecule of the asymmetric unit shown); hydrogen atoms omitted for clarity. Selected bond lengths [Å] and angles [°]: 2 P1–N1 1.7012(16), P1–N2 1.7215(16), P1–S1 2.2422(7); N1‐P1‐N2 91.22(8), N1‐P1‐S1 109.74(6), N2‐P1‐S1 92.26(6). C) Computed HOMO (top) and LUMO (bottom) of 2, BP86‐D3/def2TZVP//SDDALL/6–31g**. ^[9]