Fig. 4: UV and ECD spectra of chiral porphyrin-cage compounds.

a Calculated conformations and Boltzmann population of S_p-(R,S)-1 and S_p-(R,R)-2. b UV-Vis spectra measured for (+)−1 (magenta line) and calculated for S_p-(R,S)-1 (blue line and blue bars: dipole strengths). c UV-Vis spectra measured for (+)−2 (purple line) and calculated for S_p-(R,R)-2 (blue line and blue bars: dipole strengths). d ECD spectra measured for (+)−1 (magenta line), (−)−1 (green line), and calculated for S_p-(R,S)-1 (blue line and blue bars: rotational strengths). e ECD spectra measured for (+)−2 (purple line), (−)−2 (brown line), and calculated for S_p-(R,R)-2 (blue line and blue bars: rotational strengths). Solvent CH₃CN, c = 5.55 × 10⁻⁵ M.