Table 2.
Meso carbon–carbon distances (in Å) in all [28]hexaphyrin conformers when an external force is applied. The external force was applied to one of the H atoms of the methyl substituents on these meso positions.
|
Meso distance |
28 H |
28 M1a |
28 M1b |
28 M2 |
||||
|---|---|---|---|---|---|---|---|---|
|
|
0.333 nn |
1.0 nn |
0.333 nn |
1.0 nn |
0.333 nn |
1.0 nn |
0.333 nn |
1.0 nn |
|
C1−C4 |
14.907 |
16.369 |
13.924 |
14.316 |
14.015 |
14.487 |
13.779 |
14.191 |
|
C1−C5 |
11.067 |
11.285 |
8.328 |
10.603 |
10.912 |
11.429[a] |
10.890 |
11.326[a] |
|
C2−C5 |
11.276 |
11.660 |
9.166 |
– |
10.388 |
11.473 |
10.364 |
11.465 |
|
C2−C6 |
9.978 |
10.302 |
9.201 |
– |
8.948 |
9.426 |
8.983 |
9.338 |
|
C3−C5 |
9.997 |
10.302 |
8.733 |
8.878 |
9.431 |
9.917 |
9.349 |
9.838 |
|
C3−C6 |
11.144 |
11.572 |
10.369 |
– |
9.356 |
– |
9.023 |
– |
|
C5−C6 |
5.217 |
– |
6.810 |
6.992 |
6.629 |
6.864 |
6.669 |
6.967 |
[a] The meso distance is larger in the Möbius topologies.