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. Author manuscript; available in PMC: 2017 Sep 1.
Published in final edited form as: Chem Sci. 2016 Jun 9;7(9):6132–6140. doi: 10.1039/c6sc01469k

Figure 8.

Figure 8

Left: Model complex for 2 used in the electronic structure calculations. Color code: Mn (magenta); N (blue); C (gray); B (orange); H (white). Right, top: main orbital configurations contributing to the ground state. Right, bottom: relation between components of the g tensor of the first two Kramers’ doublets (KD1 and KD2).