On the Relevance of Considering the Intermolecular Interactions on the Prediction of the Vibrational Spectra of Isopropylamine

Figure 2

Variation of the CP-uncorrected Δ𝐸_olig as a function of oligomer size and DFT: (a) oligomers presenting just N–H⋯N interactions (group I) and (b) oligomers also C–H⋯N contacts (group II).

(a)

(b)