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. 2021 Nov 19;6(48):32739–32748. doi: 10.1021/acsomega.1c04484

Table 1. Optimized Distances (d) between the O Atom of the Sulfonic Acid Group Protonated in the Initial Structures and Protons and the O Atom of the Closest Water Molecule in Hydrated Nafion and SPK Membrane Models (Å).

  d(−SO2O···H)
d(−SO2O···H···OH2)
λ SPK Nafion SPK Nafion
λ = 0 0.97 (0.97) 0.97    
λ = 1 1.00 (1.00) 1.01 2.60 (2.59) 2.56
λ = 2 1.03 (1.04) 1.06 2.52 (2.49) 2.46
λ = 3 1.49 (1.53) 1.58 2.50 (2.52) 2.54
λ = 4 1.81 (1.81) 1.88 2.72 (2.71) 2.75