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. 2019 Oct 1;52(10):2981–2993. doi: 10.1021/acs.accounts.9b00373

Figure 2.

Figure 2

(a) Oxidation states of lanthanides in dimetallofullerenes; the color code for different states (light brown for Ln3+, light green for Ln2.5+, and light blue for Ln2+) is used in subsequent figures. (b) Stabilization of di-EMFs with a single-electron Ln–Ln bond in the form of Ln2@C80(CH2Ph), [Ln2@C80]−, and Ln2@C79N. (c) Spin density distributions in Gd2@C80(CH2Ph), [Gd2@C80]−, and Gd2@C79N (“+”, green; “–”, red; transparent and solid isosurfaces have isovalues of 0.0012 and 0.014, respectively).