. 2017 Jun 27;56(14):8147–8158. doi: 10.1021/acs.inorgchem.7b00852

Table 2. Crystal Field Parameters Used To Simulate the L-Edge XAS and XMCD Spectra of Fe²⁺ and Fe³⁺ Systems Presented in Figure 2.

parameter	Fe²⁺ system	Fe³⁺ system
10Dq (eV)	–0.5^a	–0.4
Δ (eV)	2	2
hopping integral (eV)
T(e) set	2.1	2.1
T(t₂) set	2.5	2.5
Slater–Condon–Shortley reduction parameter (%) (F_dd = F_pd = G_pd)	1^b	1^b

As reported previously.⁸⁶

A value of 1 corresponds to 80% reduction of the electron–electron repulsion of the Hartree–Fock calculated value of a free ion.

Table 2. Crystal Field Parameters Used To Simulate the L-Edge XAS and XMCD Spectra of Fe2+ and Fe3+ Systems Presented in Figure 2.