Antioxidant of Trans-Resveratrol: A Comparison between OH and CH Groups Based on Thermodynamic Views

Table 4

DPPH radical attack on hydroxy and methine groups of RSV in water (calculated ΔG^# and K at the B3LYP/6-311++G(d, p) level of theory).

No	ΔG^# (kcal/mol)	K (L/mol.s)
DPPH + RSV
4-OH	21.4	1.338 × 10^3
11(13)-OH	25.0	2.753 × 10^1
2(6)-CH	56.8	5.903 × 10^−14
3(5)-CH	55.5	2.195 × 10^−13
7-CH	54.8	4.954 × 10^−13
8-CH	55.1	3.645 × 10^−13
10(14)-CH	56.1	1.158 × 10^−13
12-CH	58.1	1.373 × 10^−14