Figure 5. Molecular graphics of R(+) form of CQ in aqueous
solution showing their H bonds interactions by using the
B3LYP/6-311++G** method.
These three new interactions formed for the R(+) form in solution are:
N3-H30···H45, C16-H44···H27 and C15-H41···H38 interactions. Note that
the distances between the two atoms involved in the new interactions are
the shortest in those interactions produced by the two H30 and H45 atoms
of both S(-) and R(+) forms. These analyses reveal that S(-) form of CQ
is the most stable in solution than the R(+) one because NBO and AIM
calculations have evidenced a higher number of interactions in the S(-)
form in this medium than the other one.