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

Table 4

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

𝑇 (K)	𝑃 (atm)	𝜌 (gm/cc)	Δ𝜔^exp0→1 (cm^−1)	Δ𝜔^theo0→1 (cm^−1)
136	15	2.29	−16.7	−16.2
155	25	2.12	−15.4	−15.0
175	38	1.91	−13.3	−13.7
194	51	1.65	−11.4	−12.3
214^(𝑆)	67	1.30	−9.2	−9.7
233^(𝑆)	89	0.87	−6.0	−6.8
252^(𝑆)	100	0.67	−3.78	−3.3