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

Table 3

Experimental and theoretical vibrational solvent shifts of the HCl-Ar.

𝑇 (K)	𝑃 (atm)	𝜌 (gm/cc)	Δ𝜔^exp0→1 (cm^−1)	Δ𝜔^theo0→1 (cm^−1)
115	25	1.20	−10.6	−9.8
129	40	1.08	−9.2	−9.1
142	59	0.93	−8.1	−7.9
154^(𝑆)	74	0.95	−7.3	−7.6
169^(𝑆)	95	0.63	−5.8	−5.7
180^(𝑆)	109	0.54	−5.0	−5.0
190^(𝑆)	119	0.48	−4.1	−4.5