Table 5.

Gibbs free energies of reaction (ΔG°, kcal/mol), for the pathways involved in the CAP-Cu(II) chelates + ^•OH reactions, at 298.15 K.

	IIB-O1a-O2a	IIB-O1a-O2a_ext
SET
O1a-O2a_ct	−23.85	−24.63
HAT
c2a	−22.35	−22.84
c7	−41.97	−41.46
n8	−17.48	−17.99
c10	−29.71	−31.44
c11	−27.34	−27.07
c12	−27.07	−27.36
c13	−39.82	−42.34
c17	−22.14	−22.18
c17p	−20.05	−22.77
o1a	−36.19	−33.99
o2a	−40.28	−38.86
RAF
c1	−16.30	−16.51
c2	−19.19	−21.73
c3	−13.16	−13.72
c4	−17.26	−18.51
c5	−14.89	−15.32
c6	−16.40	−16.21
c14	−26.15	−26.44
c15	−26.23	−24.89