Ab Initio Molecular Dynamics Simulations and Vibrational Frequency Calculations of Species in Liquid-Liquid Phase Separated MgSO₄ Solution at 543 K

Table 4

Data of four sulfate anions in 4S-4M.

Position	S1	S2	S3	S4
Frequency (cm^-1)	983	1000	993	983
Mg-Os type	1-Bi,1-Mono	2-Mono	2-Mono	2-Mono
Number of HB	2.3	5.0	5.0	4.1

Data end with were deduced from autocorrelation functions of velocities.