Figure 2. E2 elimination reaction of 2-bromopropane to propene depicted with the optimized starting structure, transition state (TS), and product at the DFT level. The reaction is a one-step with a TS structure showing the bond-breaking and forming process

From

An Undergraduate Computational Chemistry Experiment: Investigation of the E2 Elimination Reaction of 2-Bromopropane to Propene

Monsurat M. Lawal, Tugba G Kucukkal

World Journal of Chemical Education. 2024, 12(1), 13-18 doi:10.12691/wjce-12-1-3