Table 2.

DPSH, activation enthalpies, and SOMO energy for entry 34–36.

Entry	DPSH/−	$\mathbf{\Delta }{\mathit{H}}_{\mathbf{2}}^{\mathbf{‡}}\mathbf{-}\mathbf{\Delta }{\mathit{H}}_{\mathbf{1}}^{‡}\mathbf{/}\mathbf{kJ}{\mathbf{mol}}^{\mathbf{-}\mathbf{1}}$	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