Fig. 2: Experimental and calculated IR and VCD spectra.

a Calculated conformations and Boltzmann populations of S_p-(R,S)-1 and S_p-(R,R)-2. b IR spectra measured for (+)−1 (magenta line) and calculated for S_p-(R,S)-1 (blue line and blue bars: dipole strengths). c IR spectra measured for (+)−2 (purple line) and calculated for S_p-(R,R)-2 (blue and blue bars: dipole strengths). d VCD spectra measured for (‒)−1 (green line), (+)−1 (magenta line) and calculated for S_p-(R,S)-1 (blue line and blue bars: rotational strengths). e VCD spectra measured for (‒)–2 (brown line), (+)−2 (purple line) and calculated for S_p-(R,R)-2 (blue line and blue bars: rotational strengths). Solvent CD₂Cl₂, c = 1 × 10⁻¹ M.