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

Figure 6.

Figure 6

Hyperconjugative effect (σC–C → π*C=C) for the eclipsed conformation leading to TS1b. The second-order perturbation theory analysis of the Fock matrix in NBO donor–aceptor interactions in encounter complex ECb gave a stabilizing E(2) value of 5.6 kcal/mol.