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. Author manuscript; available in PMC: 2012 Mar 28.
Published in final edited form as: Angew Chem Int Ed Engl. 2011 Mar 2;50(14):3215–3218. doi: 10.1002/anie.201007692

Figure 3.

Figure 3

A) DFT-calculated spectrum (red) of 1 overlaid with NRVS spectrum (blue) and ΔFe (black bars). Important normal mode assignments are labeled, with calculated energies in square brackets. B) Comparison of DFT-calculated spectra of 1 (red) and 1′ (green), with ν8 modes indicated by solid asterisks and ν7 modes indicated by hollow asterisks. Removing the steric wall transfers intensity from ν7 to ν8.