Figure 5
Simulations of the Cu K-edge absorption of the mononuclear complexes of the 2-BB ligand with different coordination geometries. Clusters of atoms corresponding to the entire cationic complexes have been considered. (a) [Cu(2-BB)(N3)]+ cation complex, (b) [Cu(2-BB)(MeOH)(ClO4)]+ cation complex, (c) [Cu(2-BB)(NO2)]+ cation complex. |