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. 2021 Sep 3;60(18):14116–14131. doi: 10.1021/acs.inorgchem.1c01503

Figure 7.

Figure 7

Comparison between the experimental (red lines) and calculated (black lines) VCD (top) and IR (bottom) spectra of (R)-1. Calculations run at the B3LYP/def2-TZVP level with PCM for chloroform on the C2-symmetric structure of Λ-(R)-1. The parameters used to generate the calculated spectra are given in the inset.