Fig. 4: A selection of clusters [CuaZnb](R)k identified in the libraries {1}, {2} and {4} are presented as heat maps based on the number of core metal atoms n = a + b and the Cu proportion. | Nature Chemistry

Fig. 4: A selection of clusters [CuaZnb](R)k identified in the libraries {1}, {2} and {4} are presented as heat maps based on the number of core metal atoms n = a + b and the Cu proportion.

From: A living library concept to capture the dynamics and reactivity of mixed-metal clusters for catalysis

Fig. 4

The relative abundance of different clusters with similar number n of core atoms and proportion of Cu are qualitatively shown by the intensity of the domes. The computed structures of examples of clusters that have not been isolated in pure form but identified by our methodology as important species during weak or strong perturbation of {1} and the derived libraries {2} and {4} are depicted: [HCu8Zn3](Cp*)4(Mes)3 (E) and the mesityl-carboxylate insertion product upon CO2 activation [Cu8Zn3](Cp*)3(Mes)4(CO2) (Y) occurring in {2}; computed structure of [Cu9Zn7](Cp*)6(Hex)3H3 (W) that occurs in {4} after treatment of {1} with 3-hexyne and H2. The notations (Hex)3 and (H)3 refer to 3 x C6H10 and 3 x H as part of the cluster’s composition deduced from the MS data. Colour code for the displayed structures: Cu, orange; Zn, blue; C, grey; O, red; H, white; Cp* and mesityl ligands are depicted as wireframes for the sake of clarity.

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