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. Author manuscript; available in PMC: 2010 May 13.
Published in final edited form as: J Am Chem Soc. 2009 May 13;131(18):6386–6388. doi: 10.1021/ja9006723

Figure 2.

Figure 2

Summary of the structural dependence for porphyrin 13C NMR trends and MO orderings and the isosurface representations of α-LUMO (A), α-HOMO-2 (B), β-HOMO-3 (C), and α-HOMO-12 (D) for 1, α-LUMO (E), α-HOMO-1 (F), α-HOMO-2 (G), and α-HOMO-12 (H) for 2, α-LUMO+1 (I), β-HOMO (J), α-HOMO-2 (K), and α-HOMO-5 (L) for 5, α-LUMO+2 (M), α-HOMO (N), α-HOMO-2 (O), and α-HOMO-3 (P) for 6, with contour values = ± 0.02, 0.02, 0.04, 0.04, 0.02, 0.02, 0.02, 0.04, 0.02, 0.02, 0.04, 0.04, 0.02, 0.01, 0.02, and 0.02 au, respectively.