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

Table 5

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

𝑇 (K)	𝑃 (atm)	𝜌 (gm/cc)	Δ𝜔^exp0→1 (cm^−1)	Δ𝜔^theo0→1 (cm^−1)
169	1	2.92	−23.2	−21.3
179	2	2.85	−21.9	−20.5
199	5	2.70	−19.4	−19.5
218	10	2.54	−17.2	−18.1
238	17	2.36	−15.1	−16.9
257	32	2.14	−12.1	−15.5
277	43	1.81	−10.1	−13.0