Table 3. Calculated Gibbs Energies ΔG° of HAT Reactions of PhozNHs and PhtzNHs with HOO^• in the Gas Phase (in kcal/mol, M05-2X-GD3/6-311++G(d,p) + ZPE).

substituent	ΔG° of PhozNHs + HOO•		ΔG° of PhtzNHs + HOO•
Y	ΔG°	ΔΔG°	ΔG°	ΔΔG°
H	–10.0	0.0	–6.5	0.0
F	–11.3	–1.3	–7.9	–1.4
Cl	–10.8	–0.8	–7.0	–0.5
CH3	–11.7	–1.7	–8.3	–1.8
OCH3	–14.7	–4.7	–9.7	–3.2
NH2	–15.7	–5.7	–12.2	–5.7
CF3	–7.8	2.2	–5.4	1.1
CN	–8.0	2.0	–4.9	1.6
NO2	–5.8	4.2	–3.6	2.9