Figure 12.

(a) Difference of measured GDOS of dried F-CMP3 and S-CMP3 compared with the difference of measured GDOS of D₂O-mixed F-CMP3 and S-CMP3. Comparison of measured and calculated GDOS of (b) dried F-CMP3, (c) dried S-CMP3, and (d) the associated difference GDOS(F-CMP3)-GDOS(S-CMP3). The measured spectra were collected at 10 K using the hot-neutron spectrometer IN1-Lagrange, allowing to cover the full molecular vibrational range. The calculated GDOS are DFT-based (0 K), where a single-molecule approach was adopted, neglecting any potential lattice effect (external degrees of freedom) and intermolecular interactions.