The chiro-optical properties of a lemniscular octaphyrin.
The match between the calculated TD-DFT electronic circular dichroism spectrum of the M,M configuration of the lemniscular [36]octaphyrin 1 and the previously reported measured spectrum suggests that the assignment of the latter to the P,P enantiomer requires inverting to M,M. The unusually large magnitude of the calculated optical rotations for these species may reflect the aromatic character of the system.
Rzepa
Henry S
HS
Department of Chemistry, Imperial College London, South Kensington Campus, Exhibition Road, London SW7 2AZ, UK. rzepa@imperial.ac.uk