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. 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

Figure 4.

Figure 4

MO diagrams of complex I (A), complex II (B) and complex II + axial L (C). (Only unoccupied orbitals are shown. Occupied orbitals are in Figure S1-S3.) Numbers shown are the percentage of Fe d, NO2p and S3p orbitals in each MO. α contours are shown on the left and β contours on the right.