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X-ray Spectroscopic Study of Solvent Effects on the Ferrous and Ferric Hexacyanide Anions

Lookup NU author(s): Dr Thomas Penfold

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Abstract

We present an Fe Kα resonant inelastic X-ray scattering (RIXS) and X-ray emission (XES) study of ferrous and ferric hexacyanide dissolved in water and ethylene glycol. We observe that transitions below the absorption edge show that the solvent has a distinct effect on the valence electronic structure. In addition, both the RIXS and XES spectra show a stabilization of the 2p levels when dissolved in water. Using molecular dynamics simulations, we propose that this effect arises from the hydrogen-bonding interactions between the complex and nearby solvent molecules. This withdraws electron density from the ligands, stabilizing the complex but also causing a slight increase in π-backbonding.


Publication metadata

Author(s): Penfold TJ, Reinhard M, Rittmann-Frank MH, Tavernelli I, Rothlisberger U, Milne CJ, Glatzel P, Chergui M

Publication type: Article

Publication status: Published

Journal: Journal of Physical Chemistry A

Year: 2014

Volume: 118

Issue: 40

Pages: 9411-9418

Online publication date: 25/09/2014

Publisher: American Chemical Society

URL: http://pubs.acs.org/doi/abs/10.1021/jp5055588

DOI: 10.1021/jp5055588


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