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. Author manuscript; available in PMC: 2021 Feb 13.
Published in final edited form as: Chem Commun (Camb). 2020 Feb 13;56(13):2008–2011. doi: 10.1039/c9cc09670a

Figure 5.

Figure 5.

Computed NICS(1)zz values and sum of NICS(1)zz values (in ppm) for the five and six membered rings of indigo and isoindigo, in the monomer, hydrogen-bonded, and tautomeric forms (note Clar sextets).