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. 2023 Jun 28;52(14):4567–4585. doi: 10.1039/d2cs00705c

Fig. 3. Potential energy as a function of amplitude E(Q) for the two stretch modes in CO2 determined from eqn (2): (a) the symmetric stretch with ħω = 1315 cm−1, and (b) the antisymmetric stretch with ħω = 2357 cm−1. The E(Q) for both modes are shown over a range of Q = ±0.5, and the energies are given in units of ħω. On each plot, the black lines show the harmonic energy levels Ev determined from eqn (4). Note that as the energies are given in units of ħω, the implication is that modes with small ħω will, in general, have larger displacements |Q| for a given vibrational quantum state than will modes with large ħω.

Fig. 3