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

Table 1

Bond distances and dihedral angles [θ₁₁(C2–C1–C7–C8)/θ₁₂(C7–C8–C9–C14)] of the optimized RSV in gas, acetone methanol, and water media at B3LYP/6-311++G(d, p) level of theory.

Mediums	Bond lengths								Dihedral angles
	4(O–H)	11/13(O–H)	2/6(C–H)	3/5(C–H)	7(C–H)	8(C–H)	10/14(C–H)	12(C–H)	θ11	θ12
Gas	0.963	0.962	1.085	1.083	1.087	1.087	1.082	1.087	180	180
Acetone	0.965	0.965	1.085	1.084	1.087	1.086	1.082	1.085	180	180
Methanol	0.965	0.965	1.085	1.084	1.087	1.086	1.082	1.085	180	180
Water	0.965	0.965	1.085	1.084	1.087	1.086	1.082	1.085	180	180