Combinatorics of NMR and ESR spectroscopy of C60H36 isomers
نویسنده
چکیده
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 C 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. 2004 Elsevier B.V. All rights reserved.
منابع مشابه
Combinatorics of NMR and ESR spectral simulations
Combinatorial techniques which provide information on intensity and signal patterns for NMR and ESR spectra are reviewed. It is shown that these techniques can be applied to both I3C and proton NMR of molecules as well as to predict the hyperfine pattern in the ESR spectra of complex polyatomic radicals.
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