Figure 5.

Stereo view of the cyclohexenone moiety and the prediction of CD signs for1. (A) A chirality of the second sphere for the conjugated cyclohexenone with a planar C=C–C=O chromophore. The depicted absolute configurationA gives rise to a positive CD for the n–π* (>300 nm) transition [48]; (B) Sectors for the n–π* (>300 nm) transition of planar C=C–C=O chromophore and the CD signs of ligand contributions in each sector [48]. Colored rectangular planes with a black ellipse indicate two nodal surfaces, by which the front, middle and back sector regions are divided; (C–E) Octant-like projection for1on the plane that parallels the nodal surfaces in (B), which shows the ligands that located in the front (C), middle (D) and back (E) sectors (showing only perturbing atoms), respectively. Signs of the ligand contributions are given for each sector.