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. 2021 Nov 4;26(21):6659. doi: 10.3390/molecules26216659

Figure 2.

Figure 2

Examples of B3LYP/6.31+G(d,p) optimized structures of hydrogen bonded species which were considered for the specific solvation effect by DCM for dimethyl ether and tetrahydrofuran as suitable example. Before adduct formation, the Lewis base is in interaction with one DCM molecule. Meanwhile, the BF3 adduct is in interaction with three DCM molecules through the three fluorine atoms. H-Bond distances in Å.