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. Author manuscript; available in PMC: 2011 May 3.
Published in final edited form as: Inorg Chem. 2010 May 3;49(9):4133–4148. doi: 10.1021/ic902181e

Scheme 4.

Scheme 4

MO diagram of the free porphine(2−) ligand (cf. Scheme 3, top left) and contour plots of important MOs. Energies are given in Hartree. Metal d orbitals that could potentially interact with these MOs are indicated (labels are based on the coordinate system given in Scheme 3, top).