Rep:Mod3:albertfinal
Cope Rearrangement
Optimising Reactants and Products
The table below shows a comparison of the different energies and symmetry associated with the different conformation of 1, 5 hexadiene using HF/3-21G level of theory.
| Properties | Anti 1 | Anti 2 | Gauche 2 |
|---|---|---|---|
| Energy (A.U.) | -231.69260 | -231.69254 | -231.69153 |
| Symmetry | C1 | Ci | C2 |
| Conformation Structure |
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