Table 2: B3LYP-D2/6-311++G(d,p) calculated parameters of the antioxidant mechanisms for DHBAs in kJ mol−1 in all solvents under investigation.

CompoundsWaterBenzenePentylethanoate
HATSET-PTSPLETHATSET-PTSPLETHATSET-PTSPLET
BDEIPPDEPAETEBDEIPPDEPAETEBDEIPPDEPAETE

1462643559
2-OH3483713536435610240134435244257346
3-OH341301473453459142630934134278314
2492670586
2-OH3864515138639711643135539258286358
4-OH376351313963678738037736733239379
3448627542
2-OH3525615734636713043831936271293320
5-OH337401553333309242029932939276304
4461646562
2-OH3675614837038212642734537868281348
6-OH3564613737036310640534836050261350
5474660575
3-OH33916132358325543783373252237340
4-OH34118120371325543593553263221357
6480665577
3-OH361321473653537940733635327263341
5-OH360311463653527740633635226263341