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. 2024 Jul 6;89(14):9979–9989. doi: 10.1021/acs.joc.4c00857

Figure 4.

Figure 4

(a) Selected TS geometries (distances in Å), enthalpies (kcal mol–1), χNBO values (e), and EDD plots (isovalue of 0.015 e Å–3) for the addition of methyl radical to ethane, cyclobutane, cyclopropane, and [1.1.1]propellane. Difference between TS and equilibrium bond lengths (Δr) is shown in parentheses. (b) General σ–π-delocalization model proposed for three-membered rings.