Figure 2
XANES simulations for a set of Zn clusters containing the same ligands (His, carboxylic acids and water molecules), but characterized by different coordination numbers and coordinating geometry. In particular, the simulated clusters are formed by 3 His for N = 3; 3 His 1 Asp for N = 4; 2 His 1 H2O 1 Glu-bidentate for N = 5; 2 His 2 H2O 1 Asp-bidentate for N = 6. The numerical values obtained for the WL intensity are 1.5 for N = 3 or 4, 2.0 for N = 5 and 2.1 for N = 6. |