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. 2023 Dec 18;2(1):28–39. doi: 10.1021/prechem.3c00097

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© 2023 The Authors. Co-published by University of Science and Technology of China and American Chemical Society

Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).

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(a) ECD spectra of BN-[6]H and BN-[7]H in toluene. (b) |g_abs| values of BN-[6]H and BN-[7]. (c) Comparison of |g_abs| values with representative single-stranded helicenes. (d) CPL spectra of BN-[6]H and BN-[7]H in toluene. (e) Calculated interconversion process of NBN-doped helicenes at the B3LYP-D3BJ/Def2-TZVP (solvent toluene, PCM model) level. Relative Gibbs free energies are given in kcal mol^–1. tert-Butyl groups and the methyl group of the C ring in BN-[7]H are reduced to hydrogen atoms for simplicity.