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. 2021 Dec 20;87(1):693–707. doi: 10.1021/acs.joc.1c02699

Figure 4.

Figure 4

Representation of the C7–Br distance (blue lines) and planarity of C6 {red lines; as 360 – [<(2,6,7) + <(7,6,8) + <(8,6,2)]} for 130 trajectories starting from TS1b. The green area indicates, approximately, the minimum time in which only C6 is a sp2 carbon, thus corresponding to a carbocation.