Table 2. Properties of the electron density at the U—F bond critical points.

ρ (eÅ⁻³) is the electron density at the bcp; ∇²ρ (eÅ⁻⁵) is the Laplacian at the bcp; d (U–cp) (Å) is the distance from uranium to the bcp in Å; g (a.u.) is the electron kinetic energy density at the bcp; v (a.u.) is the electron potential energy density at the bcp; h (a.u.) is the total electron energy density at the bcp; |v|/g is the adimensional bonding regime descriptor; h/ρ (a.u.) is the covalence degree. The electron kinetic energy density g was obtained by the Abramov approximation (Abramov, 1997 ▸) and the electron potential energy density v according to the local Virial relationship (Bader, 1994 ▸).

	ρ (eÅ−3)	∇2ρ (eÅ−5)	d (U–cp) (Å)	g (a.u.)	v (a.u.)	h (a.u.)	|v|/g	h/ρ (a.u.)
Theory†
U—F1	0.834	11.882	1.150	0.1703	−0.2173	−0.0470	1.276	−0.380
U—F2	0.812	11.578	1.157	0.1642	−0.2083	−0.0441	1.269	−0.367
Exp. 1a †
U—F1	0.930	7.676	1.157	0.1586	−0.2375	−0.0789	1.498	−0.573
U—F2	0.902	6.300	1.146	0.1439	−0.2224	−0.0785	1.546	−0.588
Exp. 1b
U—F1	0.868	11.016	1.169	0.1703	−0.2264	−0.0561	1.329	−0.436
U—F2	0.827	11.643	1.169	0.1673	−0.2138	−0.0465	1.278	−0.380
Exp. 1c
U—F1	0.881	10.545	1.162	0.1694	−0.2239	−0.0546	1.322	−0.418
U—F2	0.885	9.023	1.166	0.1595	−0.2255	−0.0659	1.413	−0.503

^†Gianopoulos et al., 2017b ▸.