Combinatorics of NMR and ESR spectroscopy of C60H36 isomers

We have considered combinatorial and group theoretical analysis of three recently synthesized isomers of C60H36. We have obtained the generating functions for nuclear spin species of the protons and 13C nuclei, and special cases of those functions yield the NMR spectral patterns. Our NMR results for three isomers with C1, C3 and T symmetries agree with experiment. We have also predicted the ESR hyperfine patterns of radicals derived from the three isomers. Complete tables of nuclear spin species of these isomers have been obtained.