Supramolecular interactions between fullerenes and porphyrins.
Perdew-Burke-Ernzerhof density functional theory calculations have been carried out to investigate the host-guest interactions for several fullerene-porphyrin supramolecular complexes. The nature of the interactions has been discussed. The fullerene-porphyrin interaction energies for the complexes studied are found to be in the range from -16 to -18 kcal/mol.
Wang
Yi-Bo
YB
Department of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, China.
Lin
Zhenyang
Z