Table 1.
Changes of the difference dipole moment—Δμ (in debye)—along the photoisomerization channel
Structure | FC | I | 150° | TS (140°) | CI | K |
Δμ | 12.3 | 9.0 | 22.1 | 20.3 | 20.0 | 2.6 |
Δμ is calculated as the difference of the initial ground state bR dipole and the current transient dipole at each reported structure (this is the dipole computed on S1 for all the structures but K, where it is referred back to the ground state).