Table 2.

Atomic Polarizabilities from Designed Regression,¹⁴⁵ AIM,¹⁹⁶ and GAAMP^140,216 Calculations for [C₂mim][OTf] and [C₂mim][N(CN₂)₂]

				AIM		GAAMP
	atom	designed regression		[C2mim] [OTf]	[C2mim] [N(CN)2]	[C2mim] [OTf]	[C2mim] [N(CN)2]
		⟨αiβ⟩ [Å3]	αiβ from eq 2.5.2 [Å3]	⟨αiβ⟩ [Å3]	⟨αiβ⟩ [Å3]	⟨αiβ⟩ [Å3]	⟨αiβ⟩ [Å3]
C2mim	C6	1.08	0.98	0.82	0.86	2.03	2.03
	H61	0.39	0.29	0.26	0.27
	H62	0.39	0.29	0.26	0.27
	H63	0.39	0.29	0.26	0.27
	N1	1.09	0.99	1.20	1.17	0.90	0.90
	C2	1.29	1.19	1.03	1.06	1.53	1.53
	H2	0.39	0.29	0.66	0.76
	N3	1.09	0.99	1.04	1.07	0.90	0.90
	C4	1.29	1.19	1.11	1.08	1.56	1.56
	H4	0.39	0.29	0.31	0.29
	C5	1.29	1.19	1.06	1.29	1.56	1.56
	H5	0.39	0.29	0.31	0.29
	C7	1.08	0.98	1.02	1.03	1.68	1.68
	H71	0.39	0.29	0.31	0.39
	H72	0.39	0.29	0.31	0.39
	C8	1.08	0.98	0.83	0.89	2.05	2.05
	H81	0.39	0.29	0.27	0.30
	H82	0.39	0.29	0.27	0.30
	H83	0.39	0.29	0.27	0.30
OTf	C1	1.08	1.31	0.97		1.23
	F11	0.35	0.58	0.56		0.3
	F12	0.35	0.58	0.56		0.3
	F13	0.35	0.58	0.56		0.3
	S2	2.77	3.00	2.36		2.66
	O21	0.35	0.59	1.03		0.27
	O22	0.35	0.59	1.03		0.27
	O23	0.35	0.59	1.03		0.27
N(CN)2−	N1	1.09	1.46		1.69		0.98
	C2	1.19	1.56		1.37		1.04
	N3	1.09	1.46		1.69		1.79
	C4	1.19	1.56		1.37		1.04
	N5	1.09	1.46		1.69		0.98