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. 2014 Jun 10;136(26):9453–9463. doi: 10.1021/ja504182n

Table 4. Numerical Data for RAS–CI Calculations on High Spin Ferric Models.

compound Kβ1,3 energy (eV) Kβ′ energy (eV) split (eV)
FeF63– 7151.69 7172.42 20.73
FeCl63– 7152.89 7172.07 19.18
FeBr63– 7153.19 7171.92 18.73
Fe(SAr)41– 7154.71 7171.07 16.36