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Issue 38, 2007
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[FeIII(tmdta)]–twist-boat/half-chairconformer ratio reliably deduced from DFT-calculated Raman spectra

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Abstract

The equilibrium between the twist-boat (tb) and half-chair (hc) conformers of the central diamine chelate ring of [FeIII(tmdta)] in solids and aqueous solution has been studied by Raman spectroscopy, supported by calculated Raman spectra using Density Functional Theory.

Graphical abstract: [FeIII(tmdta)]––twist-boat/half-chairconformer ratio reliably deduced from DFT-calculated Raman spectra

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Supplementary files

Article information


Submitted
04 Jun 2007
Accepted
10 Aug 2007
First published
20 Aug 2007

Chem. Commun., 2007, 3960-3962
Article type
Communication

[FeIII(tmdta)]twist-boat/half-chairconformer ratio reliably deduced from DFT-calculated Raman spectra

R. Meier, J. Maigut, B. Kallies, N. Lehnert, F. Paulat, F. W. Heinemann, G. Zahn, M. P. Feth, H. Krautscheid and R. van Eldik, Chem. Commun., 2007, 3960
DOI: 10.1039/B708437D

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