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. 2018 Oct 30;119(4):2453–2523. doi: 10.1021/acs.chemrev.8b00361

Figure 19.

Figure 19

An 88-atom model cluster was obtained from the geometry of Mg2(dobdc) MOF optimized at the periodic DFT level (upper row). Substitution of the central Mg2+ cation by Fe2+ for the formation of a Fe-containing 88-atom model (lower row). Reprinted from ref (476). Copyright 2015 American Chemical Society.