Prediction of the main macrocyclic conjugation pathway for porphyrinoids from the ring current distribution.
For some porphyrinoids, such as orangarin and amethyrin, the main route of macrocyclic pi-circulation is different from the main macrocyclic conjugation pathway predicted by porphyrin chemists. Our analytical theory of ring-current diamagnetism allows us to predict the main macrocyclic conjugation pathway from the ring current distribution. We can now interpret macrocyclic aromaticity and macrocyclic circulation consistently within the same theoretical framework.
Aihara
Jun-Ichi
J
Department of Chemistry, Faculty of Science, Shizuoka University, Oya, Shizuoka 422-8529, Japan. scjaiha@yahoo.co.jp
Makino
Masakazu
M