. Author manuscript; available in PMC: 2012 Jun 15.

Published in final edited form as: Inorg Chem. 2010 Dec 15;50(2):427–436. doi: 10.1021/ic1006378

Table 3.

E_{repl, Fe} for complex II and for complex II + axial L in terms of Coulomb, and exchange integrals, and their conversion to Racah parameters.

		Expressions in J and K	Expressions in A, B and C
Complex II	Fe^III	J(d_z2, d_yz) + J(d_z2, d_xz) + 2J(d_z2, d_xy) + J(d_yz, d_xz) + 2J(d_yz, d_xy) + 2J(d_xz, d_xy) + J(d_xy, d_xy) − K(d_z2, d_yz) − K(d_z2, d_xz) − K(d_yz, d_xz)	10A−15B+9C
Complex II	Fe^II	J(d_z2, d_yz) + 2J(d_z2, d_xz) + 2J(d_z2, d_xy) + 2J(d_yz, d_xz) + 2J(d_yz, d_xy) + J(d_xz, d_xz) + 4J(d_xz, d_xy) + J(d_xy, d_xy) − K(d_z2, d_yz)	15A−11B+18C
Complex II + axial L	Fe^III	2J(d_yz, d_xz) + 2J(d_yz, d_xy) + J(d_xz, d_xz) + 4J(d_xz, d_xy) + J(d_xy, d_xy)	10A−8B+14C
Complex II + axial L	Fe^II	J(d_yz, d_yz) + 4J(d_yz, d_xz) + 4J(d_yz, d_xy) + J(d_xz, d_xz) + 4J(d_xz, d_xy) + J(d_xy, d_xy)	15A−12B+21C