Table 7.

Gibbs free energy of reaction (ΔG, kcal/mol), Gibbs free energy of activation (ΔG^≠, kcal/mol) and rate constants (k, M^–1 s^–1) for the RAF mechanism between PhAs-Cu(II) and ^•OH, since pre-reactive adduct. Solvent = water.

PhAs-Cu(II)		ΔG	ΔG≠	k
Hn−2COA2–-(2)-C2	RAF-1	11.18	17.53	8.76 × 10−1
Hn−2COA2–-(2)-C2	RAF-2	6.35	17.90	4.72 × 10−1
Hn−2COA2–-(2)-C2	RAF-3	2.19	12.46	4.57 × 103
Hn−2COA2–-(2)-C2	RAF-4	5.64	12.99	1.85 × 103
Hn−2FLA2–-(2)-C5	RAF-1	12.43	20.11	1.13 × 10−2
Hn−2FLA2–-(2)-C5	RAF-2	NF	-	-
Hn−2FLA2–-(2)-C5	RAF-3	4.18	17.81	5.44 × 10−1
Hn−2FLA2–-(2)-C5	RAF-4	1.80	14.54	1.37 × 102
Hn−2FLA2–-(2)-C5	RAF-5	7.38	18.15	3.06 × 10−1
Hn−2FLA2–-(2)-C5	RAF-6	5.07	16.21	8.17 × 100
Hn−2FLA2–-(2)-C2	RAF-1	13.57	18.67	1.28 × 10−1
Hn−2FLA2–-(2)-C2	RAF-2	6.29	18.36	2.14 × 10−1
Hn−2FLA2–-(2)-C2	RAF-3	0.84	14.43	1.63 × 102
Hn−2FLA2–-(2)-C2	RAF-4	5.90	11.70	1.64 × 104
Hn−2FLA2–-(2)-C2	RAF-5	6.72	15.12	5.09 × 101
Hn−2FLA2–-(2)-C2	RAF-6	5.60	15.80	1.61 × 101
Hn−2PRA2–-(2)-C7	RAF-1	9.83	18.93	8.24 × 10−2
Hn−2PRA2–-(2)-C7	RAF-2	8.12	16.83	2.88 × 100
Hn−2PRA2–-(2)-C7	RAF-3	7.65	13.14	1.44 × 103
Hn−2PRA2–-(2)-C7	RAF-4	6.18	12.53	4.05 × 103
Hn−2PRA2–-(2)-C7	RAF-5	10.26	17.98	4.12 × 10−1
Hn−2PRA2–-(2)-C7	RAF-6	5.52	14.53	1.38 × 102
Hn−2GAA2–-(2)-C7	RAF-1	11.60	20.12	1.10 × 10−2
Hn−2GAA2–-(2)-C7	RAF-2	8.25	18.85	9.40 × 10−2
Hn−2GAA2–-(2)-C7	RAF-3	10.66	15.74	1.79 × 101
Hn−2GAA2–-(2)-C7	RAF-4	6.53	13.42	9.05 × 102
Hn−2GAA2–-(2)-C7	RAF-5	7.30	17.40	1.09 × 100
Hn−2GAA2–-(2)-C7	RAF-6	8.74	17.03	2.05 × 100

NF = not formed.