Journal
CANADIAN JOURNAL OF CHEMISTRY
Volume 87, Issue 1, Pages 224-231Publisher
CANADIAN SCIENCE PUBLISHING
DOI: 10.1139/V08-125
Keywords
zinc; iron; ECD; DFT; salen complexes
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Funding
- National Science Foundation [CHE-0349258]
- Kansas State University
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A symmetrical salen ligand is formed by the condensation of (1R, 2R)-diaminocyclohexane with 4-hydroxy-3-phenanthrenecarboxaldehyde. Crystallographic characterization of the metal complexes (Zn-II, Fe-II, and Fe-III) show 1:1 mixtures of diastereomeric M and P helical molecules. ECD spectra of the Zn-II complex combined with DFT simulations strongly suggest that the M conformation is dominant in solution. This is supported by H-1 and C-13 NMR data, which are consistent with a single species in solution.
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