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The Structure of an Isomeric Pair of a (Tetraamine)copper(II) Compound in the solid state and in solution

✍ Scribed by Peter Comba; Peter Hilfenhaus; Bernhard Nuber

Publisher
John Wiley and Sons
Year
1997
Tongue
German
Weight
703 KB
Volume
80
Category
Article
ISSN
0018-019X

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✦ Synopsis

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 CH~2~O 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)~2~ and Cu(‘anti’‐L)~2~ · 1/2 H~2~O (L = 1, 4, 8, 10, 13, 15‐hexaazatricyclo [13.3.1.1^4, 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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