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. 2020 Dec 17;10(12):2541. doi: 10.3390/nano10122541

Table 1.

Solvent effect on binding energy in MeHg + complexes. The dielectric constant values for water, EtOH, dimethyl sulfoxide (DMSO), dimethylformamide (DMF) and acetonitrile were 78.4, 24, 47, 36.7 and 36.5, respectively.

Complex Binding Energy/kcal mol−1
Water EtOH DMSO DMF Acetonitrile Vacuum
MeHg+–MBI −10.5 −15.4 −12.2 −13.1 −13.3 −168.5
MeHg+–MBT −7.8 −12.0 −9.2 −10.0 −10.2 −161.5