Table 1. Relative total energies from MM simulations of the BIC trimers and hexagonal units binding with different co-absorbers.

	CW/OA	CCW/OA	CW/R-OA	CW/S-OA	CCW/R-OA	CCW/S-OA
Trimer*	0	0	27.38	40.48	40.43	27.36
Hexagon†	0	0	160.12	250.79	243.06	163.61

BIC, 5-(benzyloxy)-isophthalic acid derivative; CW, clockwise; CCW, counterclockwise; MM, molecular mechanics; OA, 1-octanol; R-OA, (R)-(−)-2-octanol; S-OA, (S)-(−)-2-octanol.

Relative energies are presented in kcal mol⁻¹.

^*The hexadecyloxy chains in BIC are replaced by octyloxy groups. The energy of the molecular trimer combined with chiral solvents is relative to the CW/OA and CCW/OA trimer.

^†The energy of the hexagonal structures are relative to the CW/OA and CCW/OA hexagonal units.