. 2020 Oct 26;10(64):39160–39170. doi: 10.1039/d0ra07927h

The calculated distances between anion and cation in ILs with the framework (in Å) along with the calculated adsorption energies of IL@ZIF-8 and the respective pore volume changes (in %).

[BMIM][X]@ZIF-8 composites	Shortest interacting distances (Å)			Change in cell volume (%)	E _ads (kcal mol⁻¹)
[BMIM][X]@ZIF-8 composites	[BMIM]⁺–[X]⁻	ZIF-8 and [BMIM]⁺	ZIF-8 and [X]⁻	Change in cell volume (%)	E _ads (kcal mol⁻¹)
[BMIM][NO₃]	1.78	2.53	2.61	1.49	32.91
[BMIM][Tf₂N]	2.10	2.70	2.53	1.52	27.56
[BMIM][DCA]	2.25	2.44	4.04	1.61	26.94
[BMIM][N₃]	1.67	2.36	2.96	1.68	16.79
[BMIM][SCN]	2.13	2.44	3.13	1.81	9.10
[BMIM][NO₂]	1.81	2.43	2.70	1.79	4.37
[BMIM][Cl]³⁶	2.11	2.34	2.87	1.93	−6.56
[BMIM][BF₄]³⁶	2.10	2.41	2.68	1.96	−9.90
[BMIM][CF₃CO₂]³⁶	1.77	2.49	2.43	2.05	−15.67
[BMIM][PF₆]³⁶	1.99	2.54	2.37	2.18	−31.72
[BMIM][OTF]	2.02	2.32	2.45	2.31	−43.52