Figure 8
From: Integration of inherent and induced chirality into subphthalocyanine analogue
Calculated electronic transition density maps, excited wavelengths (λ), oscillator strengths (f ), rotational strengths (R), and orbital compositions of important transitions of ( S )-1. [a] The isovalue of electron transition density map is 0.008. [b] The unit is 10−40 erg-esu-cm/Gauss. [c] The transition compositions with more than 5% contribution are listed. [d] H refers to HOMO and L to LUMO. [e] Transition contribution of each fragment is summation of composed orbital contributions of each fragment. Orbital compositions more than 0.001% are counted. [f ] From ground state to excited state. [g] Rotatory strength contribution is decomposed to Mac and Bin segments via Mulliken charge.
