The parameters of QTAIM calculations in ion–CO₂ and DIL–CO₂ complexes.

Structure	BCP	ρ(r) (a.u.)	∑ρ(r) (a.u.)	∇2ρ(r) (a.u.)	G(r) (a.u.)	V(r) (a.u.)	H(r) (a.u.)	−(G(r)/V(r))
Ion–CO 2 complexes
[Bis(mim)C5]2+–CO2	b1 O1–HR	0.0124	0.0219	0.0436	0.0102	−0.0094	0.0008	1.0851
	b2 O1–H1	0.0095		0.0344	0.0079	−0.0072	0.0007	1.0972
[N111-C5-mim]2+–CO2	b1 O1–HR	0.0132	0.0225	0.0482	0.0111	−0.0101	0.0009	1.0990
Imidazolium head	b2 O1–HS1	0.0093		0.0316	0.0074	−0.0069	0.0005	1.0725
Ammonium head	b1 O1–H13	0.0102	0.0312	0.0351	0.0082	−0.0077	0.0005	1.0649
	b2 O1–H15	0.0107		0.0366	0.0086	−0.0081	0.0005	1.0618
	b3 O1–H18	0.0103		0.0356	0.0084	−0.0078	0.0006	1.0769
[Bis(mim)C5-(C4)2]2+–CO2	b1 O1–HR	0.0130	0.0221	0.0466	0.0108	−0.0099	0.0009	1.0909
	b2 O1–H1	0.0091		0.0299	0.0068	−0.0061	0.0007	1.114
[NTf2]−–CO2	b1 C–N	0.0120	0.0292	0.0470	0.0101	−0.0084	0.0017	1.2024
	b2 C–O1′	0.0127		0.0521	0.0115	−0.0099	0.0015	1.1616
	b3 O1–F1′	0.0045		0.0251	0.0052	−0.0041	0.0011	1.2683
DIL–CO 2 complexes
[Bis(mim)C5][NTf2]2–CO2	b1 O1–HR	0.0131	0.0571	0.0446	0.0105	−0.0099	0.0006	1.0606
	b2 O1–H1	0.0035		0.0154	0.0030	−0.0022	0.0008	1.3636
	b3 C–O1	0.0089		0.0411	0.0085	−0.0066	0.0018	1.2878
	b4 C–O1	0.0144		0.0626	0.0139	−0.0121	0.0018	1.1487
	b5 O2–F2′	0.0100		0.0451	0.0105	−0.0097	0.0008	1.0824
	b6 O2–F1′	0.0072		0.0338	0.0074	−0.0064	0.0009	1.1562
[N111-C5-mim][NTf2]2–CO2	b1 O1–HR	0.0082	0.0345	0.0289	0.0065	−0.0058	0.0007	1.1206
	b2 O1–H1	0.0069		0.0295	0.0061	−0.0047	0.0013	1.2978
Imidazolium head	b3 C–O1	0.0143		0.0636	0.0139	−0.0119	0.0019	1.1680
	b4 O2–F1	0.0051		0.0271	0.0057	−0.0047	0.0010	1.2127
Ammonium head	b1 O1–H11	0.0094	0.0429	0.0353	0.0080	−0.0072	0.0008	1.1111
	b2 O1–H7	0.0088		0.0278	0.0066	−0.0063	0.0003	1.0476
	b3 O1–N	0.0039		0.0166	0.0034	−0.0027	0.0007	1.2592
	b4 C–O1′	0.0133		0.0562	0.0124	−0.0107	0.0017	1.1588
	b5 O2–F1′	0.0075		0.0368	0.0077	−0.0061	0.0015	1.2622
[Bis(mim)C5-(C4)2][NTf2]2–CO2	b1 O1–HR	0.0132	0.0580	0.0454	0.0107	−0.0099	0.0007	1.0808
	b2 C–O1	0.0119		0.0543	0.0116	−0.0096	0.0019	1.2083
	b3 C–O1′	0.0121		0.0522	0.0113	−0.0096	0.0017	1.1770
	b4 O2–F2′	0.0111		0.0439	0.0102	−0.0093	0.0008	1.0967
	b5 O2–F1′	0.0097		0.0424	0.0081	−0.0056	0.0025	1.4464