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- Title
The Structure of an Isomeric Pair of a (Tetraamine)copper(II) Compound in the solid state and in solution.
- Authors
Comba, Peter; Hilfenhaus, Peter; Nuber, Bernhard
- Abstract
The 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.
- Publication
Helvetica Chimica Acta, 1997, Vol 80, Issue 6, p1831
- ISSN
0018-019X
- Publication type
Article
- DOI
10.1002/hlca.19970800607