A Simulation Study of the Fundamental Vibrational Shifts of HCl Diluted in Ar, Kr, and Xe: Anharmonic Corrections Effects

Figure 2

Theoretical solvent shifts Δ𝜔_0→1 (Th), the Buckingham term Δ𝜔^𝐵_0→1 (Bu), and the anharmonic contribution Δ𝜔^𝐴_0→1 (An) of the HCl in Ar (Th square, Bu filled circle, An up triangle), Kr (Th down triangle, Bu rhombus, An left triangle), and Xe (Th right triangle, Bu open circle, An star).