期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 118, 期 40, 页码 9411-9418出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp5055588
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资金
- Swiss NSF through the NCCR MUST [200020-135502, 200021-144517]
- COST action XLIC [CM1204]
- Swiss National Science Foundation (SNF) [200021_144517, 200020_135502] Funding Source: Swiss National Science Foundation (SNF)
We present an Fe K alpha 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 pi-backbonding.
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