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. 2022 Feb 14;13:860. doi: 10.1038/s41467-022-28384-8

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© The Author(s) 2022

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 6 — a Electron relay in K₂dbCOT2. 1D ROE NMR spectra show inversion of H(C4) in K₂dbCOT2 with mixing times from 25 to 200 ms. b Electron relay in K₂dbCOT3. 1D ROE NMR spectra show inversion of H(C4) in 7a²⁻ and H(C4’)/H(C1’) in 7b²⁻ with mixing times from 25 to 200 ms. c DFT calculated molecular orbitals illustrating the HOMO level throughout electron relay in K₂dbCOT3 along with a schematic representation of logical states. Optimized geometries and HOMO orbitals obtained using the B3LYP/6-311 + G(d,p) level of theory with a polarizable continuum solvent model of THF. Molecular orbitals plotted using a standard isovalue of 0.02. Potassium counterions are omitted for clarity (panels a, b).