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. 2014 Nov 5;6(2):1101–1114. doi: 10.1039/c4sc02931c

Table 5. Differences in the ‘charge arm’ of constituent cations, ΔRcationca, and anions, ΔRanionca, for mixture series 1–11 (units angstroms, Å), calculated from NBO charges (units e). Values in parentheses refer to ΔR _ca values when a less predominant or higher energy ion conformation is employed.

Ionic liquid mixture series	ΔRcationca	ΔRanionca
1 [C₄C₁im]Cl[OTf]	—	0.52
2 [C₄C₁im][MeSO₄][Me₂PO₄]	—	0.38 (0.55)
3 [C₄C₁im][OTf][NTf₂]	—	0.49 (0.29)
4 [C₄C₁im][(HOC₂)₃C₁N][MeSO₄]	0.70 (0.36)	—
5 [C₄C₁im][MeSO₄][NTf₂]	—	0.23 (1.01)
6 [C₄C₁pyrr][NTf₂][Me₂PO₄]	—	0.61 (1.39) (0.32)
7 [C₄C₁im][NTf₂][Me₂PO₄]	—	0.61 (1.39) (0.32)
8 [C₄C₁im][Me-DBU][MeSO₄]	0.76	—
9 [C₄C₁im][C₁C₁C₁pz][OTf]	0.69	—
10 [C₄C₁im][Me-DBU][MeSO₄][NTf₂]	0.76	0.23 (1.01)
11 [C₄C₁im][C₄C₁pyrr][OTf][NTf₂]	0.57	0.49 (0.29)