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Issue 19, 2016
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Achirality in the low temperature structure and lattice modes of tris(acetylacetonate)iron(iii)

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Abstract

Tris(acetylacteonate) iron(III) is a relatively ubiquitous mononuclear inorganic coordination complex. The bidentate nature of the three acetylacteonate ligands coordinating around a single centre inevitably leads to structural isomeric forms, however whether or not this relates to chirality in the solid state has been questioned in the literature. Variable temperature neutron diffraction data down to T = 3 K, highlights the dynamic nature of the ligand environment, including the motions of the hydrogen atoms. The Fourier transform of the molecular dynamics simulation based on the experimentally determined structure was shown to closely reproduce the low temperature vibrational density of states obtained using inelastic neutron scattering.

Graphical abstract: Achirality in the low temperature structure and lattice modes of tris(acetylacetonate)iron(iii)

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Supplementary files

Article information


Submitted
04 Feb 2016
Accepted
19 Apr 2016
First published
19 Apr 2016

This article is Open Access

Dalton Trans., 2016,45, 8278-8283
Article type
Paper
Author version available

Achirality in the low temperature structure and lattice modes of tris(acetylacetonate)iron(III)

T. K. Ellis, G. J. Kearley, R. O. Piltz, U. A. Jayasooriya and J. A. Stride, Dalton Trans., 2016, 45, 8278
DOI: 10.1039/C6DT00517A

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