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. 2019 May 14;58(24):8024–8028. doi: 10.1002/anie.201901573

Figure 5.

Figure 5

a) Representative snapshot of NaBPh4 and 94 DME (=0.1 m NaBPh4/DME) solution consisting of 1550 atoms. b) Two‐dimensional free energy surface for the ion‐pair distance and coordination number between Na and DME of NaBPh4/DME solution. The dissociation state at (16.0 Å, 6.0) is set to zero. Notably, such solvation and ion‐pair characteristics are difficult to analyze for dilute electrolytes via spectroscopies (Figure S14).