Abstract
AbstractThe template condensation of [Cu(3, 2, 3‐tet)]2+ (3, 2, 3‐tet = N, N″)‐(ethane‐1, 2‐diyl)propane‐1, 3‐diamine with CH2O and en (en = ethane‐1, 2‐diamine) affords the copper(II) compounds of two isomeric tricyclic ligands in high yield. The strikingly different UV/VIS and EPR spectroscopic behavior of these two compounds, [Cu(‘syn’‐L)](CIO4)2 and [Cu(‘anti’‐L)](ClO4)2 · 1/2 H2O (L = 1, 4, 8, 10, 13, 15‐hexaazatricyclo [13.3.1.14, 8]icosane), is analyzed by angular overlap model (AOM) calculations based on the experimentally determined solid‐state structures (powder spectra) and a combination of molecular mechanics and AOM calculations (MM‐AOM) for the solution‐structure behavior.
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