Table 2 DPSH, activation enthalpies, and SOMO energy for entry 34–36.
Entry | DPSH/− | \({\boldsymbol{\Delta }}{{\boldsymbol{H}}}_{{\bf{2}}}^{{\boldsymbol{\ddagger }}}{\boldsymbol{-}}{\boldsymbol{\Delta }}{{\boldsymbol{H}}}_{{\bf{1}}}^{\ddagger }{\boldsymbol{/}}{\bf{kJ}}\,{{\bf{mol}}}^{{\boldsymbol{-}}{\bf{1}}}\) | ΔH1‡/kJ mol−1 | ΔH2‡/kJ mol−1 | SOMO/eV |
|---|---|---|---|---|---|
34 | 1.95 | 46.0 | 110 | 156 | −2.75 |
35 | 1.94 | 45.9 | 112 | 157 | −2.62 |
36 | 1.93 | 45.4 | 92.0 | 137 | −3.60 |
