. 2014 Aug 21;119(3):883–895. doi: 10.1021/jp505875v

Table 1. Experimental HFE and IOD Values of M(III) and M(IV) Metal Ions.

metal ion	electron configuration	HFE (kcal/mol)^a	IOD (Å)^b	CN^b	effective ion radii (Å)	first shell water radii (Å)
Al³⁺	[Ne]	–1081.5	1.88	6	0.54	1.34
Fe³⁺	[Ar]3d⁵	–1019.4	2.03	6	0.65	1.38
Cr³⁺	[Ar]3d³	–958.4	1.96	6	0.62	1.34
In³⁺	[Kr]4d¹⁰	–951.2	2.15	6	0.80	1.35
Tl³⁺	[Xe]4f¹⁴5d¹⁰	–948.9	2.23	4–6	0.89	1.34
Y³⁺	[Kr]	–824.6	2.36	8	0.90	1.46
La³⁺	[Xe]	–751.7	2.52	8.0–9.1	1.03	1.49
Ce³⁺	[Xe]4f¹	–764.8	2.55	7.5	1.01	1.54
Pr³⁺	[Xe]4f²	–775.6	2.54	9.2	0.99	1.55
Nd³⁺	[Xe]4f³	–783.9	2.47	8.0–8.9	0.98	1.49
Sm³⁺	[Xe]4f⁵	–794.7	2.44	8.0–9.9	0.96	1.48
Eu³⁺	[Xe]4f⁶	–803.1	2.45	8.3	0.95	1.50
Gd³⁺	[Xe]4f⁷	–806.6	2.39	8.0–9.9	0.94	1.45
Tb³⁺	[Xe]4f⁸	–812.6	2.40	8.0–8.2	0.92	1.48
Dy³⁺	[Xe]4f⁹	–818.6	2.37	7.4–7.9	0.91	1.46
Er³⁺	[Xe]4f¹¹	–835.3	2.36	6.3–8.2	0.89	1.47
Tm³⁺	[Xe]4f¹²	–840.1	2.36	8.1	0.88	1.48
Lu³⁺	[Xe]4f¹⁴	–840.1	2.34	8	0.86	1.48
Hf⁴⁺	[Xe]4f¹⁴	–1664.7	2.16^c	8^c	0.85	1.31
Zr⁴⁺	[Kr]	–1622.8	2.19^c	8^c	0.86	1.33
Ce⁴⁺	[Xe]	–1462.7	2.42^d	9^d	0.87	1.55
U⁴⁺	[Rn]6d¹5f¹	–1567.9	2.42^e	9–11^e	0.89	1.53
Pu⁴⁺	[Rn]5f⁴	–1520.1	2.39^f	8^f	0.86	1.53
Th⁴⁺	[Rn]	–1389.8	2.45^e	9–11^e	0.94	1.51

Referenced from Marcus.⁶⁶

Referenced or calculated from Marcus.⁶⁷

From Hagfeldt et al.⁷¹

From Sham.⁶⁸

From Moll et al.⁷⁰

From Ankudinov et al.⁶⁹