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. Author manuscript; available in PMC: 2020 Jul 20.
Published in final edited form as: Nat Chem. 2020 Jan 20;12(3):236–241. doi: 10.1038/s41557-019-0398-3

Fig. 3. Hückel behaviour in a template-bound eight-porphyrin ring.

Fig. 3

Molecular structure of c-P8[e8]·(T4*)2, Ar = 3,5-bis(trihexylsilyl))phenyl, and 1H NMR spectra in oxidation states 2+, 4+, 6+ and 8+. Labels denote the key resonances THSin (green), THSout (orange), and template (α, β); # and ‡ denote CHDCl2 and thianthrene, respectively. Detailed spectra are shown in Supplementary Figs. 14 and 45–47. NICS(0)zz grids (LC-ωhPBE/6-31G*, ω = 0.1) in the xy plane for each state (without template).