Tirler, Andreas and Persson, Ingmar and Hofer, Thomas S. and Rode, Bernd M.
(2015).
Is the Hexacyanoferrate(II) Anion Stable in Aqueous Solution? A Combined Theoretical and Experimental Study.
Inorganic chemistry. 54:21, 10335-10341
[Journal article]
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- Accepted Version
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Official URL: http://pubs.acs.org/doi/10.1021/acs.inorgchem.5b01...
Abstract
A combined theoretical and experimental study was performed to elucidate the structural and dynamical properties of the isolated aqueous hexacyanoferrate(II) ion as well as in the presence of potassium counterions. It is shown that in absence of counterions, the highly negatively charged hexacyanoferrate(II) complex is not stable in aqueous solution. However, if the high negative charge is compensated by potassium counterions, a stable complex is observed, which is proven by theoretical simulations as well as by extended X-ray absorption fine structure (EXAFS) experiments. From the simulation it is found that potassium ions surrounding the complex are highly mobile and thus cannot be observed via EXAFS experiments. The structure of aqueous hexacyanoferrate(II) in the presence of potassium ions is identical to that of the solid-state structure, but the mobility of potassium ions is significantly increased in the liquid. These highly mobile potassium ions circulating the complex are the reason for the very short lifetime of hydrogen bonds between solvent water molecules and cyanide ligands being on the femtosecond scale.
| Authors/Creators: | Tirler, Andreas and Persson, Ingmar and Hofer, Thomas S. and Rode, Bernd M. | ||||||
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| Title: | Is the Hexacyanoferrate(II) Anion Stable in Aqueous Solution? A Combined Theoretical and Experimental Study | ||||||
| Series/Journal: | Inorganic chemistry (1520-510X) | ||||||
| Year of publishing : | 2015 | ||||||
| Volume: | 54 | ||||||
| Number: | 21 | ||||||
| Page range: | 10335-10341 | ||||||
| Number of Pages: | 7 | ||||||
| Publisher: | American Chemical Society | ||||||
| ISSN: | 1520-510X | ||||||
| Language: | English | ||||||
| Publication Type: | Journal article | ||||||
| Refereed: | Yes | ||||||
| Article category: | Scientific peer reviewed | ||||||
| Version: | Accepted version | ||||||
| Full Text Status: | Public | ||||||
| Subjects: | (A) Swedish standard research categories 2011 > 1 Natural sciences > 104 Chemical Sciences > Inorganic Chemistry | ||||||
| Agrovoc terms: | chemistry | ||||||
| Keywords: | Hexacyanoferrate(II) ion, stability, aqueous solution, EXAFS, theoretical simulation | ||||||
| URN:NBN: | urn:nbn:se:slu:epsilon-e-3472 | ||||||
| Permanent URL: | http://urn.kb.se/resolve?urn=urn:nbn:se:slu:epsilon-e-3472 | ||||||
| Additional ID: |
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| ID Code: | 13315 | ||||||
| Faculty: | NJ - Fakulteten för naturresurser och jordbruksvetenskap | ||||||
| Department: | (NL, NJ) > Department of Chemistry and Biotechnology (140101-161231) | ||||||
| External funders: | Knut and Alice Wallenberg Foundation | ||||||
| Deposited By: | SLUpub Connector | ||||||
| Deposited On: | 07 Jun 2016 13:32 | ||||||
| Metadata Last Modified: | 12 Oct 2016 23:15 |
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