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Dissecting Local At...
Dissecting Local Atomic and Intermolecular Interactions of Transition-Metal Ions in Solution with Selective X-ray Spectroscopy
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Wernet, Philippe (författare)
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Kunnus, Kristjan (författare)
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Schreck, Simon (författare)
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Quevedo, Wilson (författare)
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Kurian, Reshmi (författare)
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Techert, Simone (författare)
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de Groot, Frank M. F. (författare)
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- Odelius, Michael (författare)
- Stockholms universitet,Fysikum
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Föhlisch, Alexander (författare)
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(creator_code:org_t)
- 2012-11-13
- 2012
- Engelska.
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Ingår i: The Journal of Physical Chemistry Letters. - : American Chemical Society (ACS). - 1948-7185. ; 3:23, s. 3448-3453
- Relaterad länk:
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http://www.helmholtz...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- Determining covalent and charge-transfer contributions to bonding in solution has remained an experimental challenge. Here, the quenching of fluorescence decay channels as expressed in dips in the L-edge X-ray spectra of solvated 3d transition-metal ions and complexes was reported as a probe. With a full set of experimental and theoretical ab initio L-edge X-ray spectra of aqueous Cr3+, including resonant inelastic X-ray scattering, we address covalency and charge transfer for this prototypical transition-metal ion in solution. We dissect local atomic effects from intermolecular interactions and quantify X-ray optical effects. We find no evidence for the asserted ultrafast charge transfer to the solvent and show that the dips are readily explained by X-ray optical effects and local atomic state dependence of the fluorescence yield. Instead, we find, besides ionic interactions, a covalent contribution to the bonding in the aqueous complex of ligand-to-metal charge-transfer character
Ämnesord
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Nyckelord
- charge transfer to solvent
- dark channel fluorescence yield
- inverse partial fluorescence yield
- total fluorescence yield
- resonant inelastic X-ray scattering
- transition-metal ion
- aqueous solution
- kemisk fysik
- Chemical Physics
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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