. 2019 May 3;9(24):13677–13695. doi: 10.1039/c9ra02058f

Calculated coordination numbers N_coord, at minimum RDF distances (Å) for anion–cation and H-anion RDFs for [C₄mim][CF₃COO] and [C₄mim][Br] IL^a.

LI	RDF	R _coord	N _coord
[C₄mim][CF₃COO]	C₁₀–N₂^b	7.10	6.68
	O₃–H₁	3.95	1.17
	O₃–H_2,3	3.65	1.30
	O₃–H_methyl	6.65	8.02
	F₄–H₁	6.95	4.11
	F₄–H_2,3	6.25	6.10
	F₄–H_methyl	7.85	18.01
[C₄mim][Br]	BR–N₂^b	7.35	5.9
	BR–H₁	4.75	1.91
	BR–H_2,3	4.00	2.23
	BR–H_methyl	5.95	10.56

See Fig. 2 and 5 for RDF graphs. Atoms H_13,14,15 are labeled as H_methyl. See Fig. 1 for atomic labels.

Atoms located at the COM for the ions have been used to calculate the anion–cation RDF.

Calculated coordination numbers Ncoord, at minimum RDF distances (Å) for anion–cation and H-anion RDFs for [C4mim][CF3COO] and [C4mim][Br] ILa.