MLPs (private versus absolute scaling) of the
cycloalkin bromobenzene complex (all PIMM91-structures):
All frontside views are aligned such that the 2-OH and 3-OH groups point
towards the viewer, side view models are shown with the 2-OH and 3-OH groups
Complex I, structures A and B: two most stable complexes with the C-Br bond
pointing towards the 2-OH and 3-OH groups.
Complex II, structures A and B: two most stable host-guest alignments
with the C-Br bond pointing towards the 6-CH2OH side.
In the first row, only the most stable, global energy-minimum structure of
complex I and II (both structures A) are shown.
The forth row displays the strained complexes with the center of geometry
of the benzene ring lying in the mean-plane of the macrocycle (z=0, high local
energy-minimum structure in the x/y-plane).