X-ray spectroscopic study of solvent effects on the ferrous and ferric hexacyanide anions.
J Phys Chem A
; 118(40): 9411-8, 2014 Oct 09.
Article
em En
| MEDLINE
| ID: mdl-25223627
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.
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01-internacional
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MEDLINE
Idioma:
En
Ano de publicação:
2014
Tipo de documento:
Article