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(a) Optimized structures of (R)-cis-(P)-2 and (R)-cis-(M)-2 obtained by the DFT calculations at the B3LYP/6-31G(d) level under C2 symmetry. (b) CD calculated by the TD-DFT method with the B3LYP/6-31G(d) level of (R)-cis-(P)-2 (red bar), (R)-cis-(M)-2 (yellow bar), and experimental CD of (R)-2 after 365-nm irradiation (blue line, 1 × 10−5 M in 1,4-dioxane, 20 °C).
