Skip to main content
. 2022 Mar 14;7(12):10087–10099. doi: 10.1021/acsomega.1c06129

Table 5. Relative Energies of (E,E), (E,Z), and (Z,Z) Isomers of the Dienones 1af in the S1 State.

dienone (E,E) (E,Z) (Z,Z)
1a 0.00 –6.00 –1.44
1b 0.00 –4.86 –0.96
1c 0.00 –2.22 0.92
1d 0.00 –6.98 –1.66
1e 0.00 5.39 6.15
1f 0.00 5.45 6.15