Figure 2 . Magnitudes and positions of vectors of dipole moments
of the two enantiomeric S(-) and R(+) forms of CQ in gas phase by using
hybrid B3LYP/6-311++G** method.
The differences observed in the dipole moments could have some effect on
their properties, especially in aqueous solution. Therefore, the
solvation energies are useful parameters highly related to the presence
of acceptor and donors H bonds in solution. Hence, for the two
enantiomeric S(-) and R(+) forms of CQ the corrected and uncorrected
solvation energies by zero point vibrational energy (ZPVE) by using the
B3LYP/6-311++G** method are presented in Table 2 .
Table 2. Corrected and uncorrected solvation energies by zero
point vibrational energy (ZPVE) of two enantiomeric S(-) and R(+) forms
of CQ by using the B3LYP/6-311++G** method.