Cr K-edge XANES spectroscopy: ligand and oxidation
state dependence - what is oxidation state?
Cr K-edge XANES spectroscopy: ligand and oxidation
state dependence - what is oxidation state?
A series of Cr complexes varying in oxidation state, ligand and geometry were studied with Cr K-edge XANES. The main absorption edge energy shift for an oxidation state change from Cr° to Cr6+ is found to be similar to that for a series of Cr3+ complexes with different ligands. Theoretical XANES and density of states calculations using FEFF8.0 provided detailed insights in the origin of the XANES features for the series of distorted octahedral CrCl3L complexes. The geometry of the CrCl3L complex governs the position of the main absorption edge. Hard versus soft donor effects are overruled by the chlorine ligand for complexes with a facial geometry, whereas the chlorine ligand does not play a significant role in meridional geometry. The combined results call for a redefinition of generally used concepts like oxidation state.
chromium, xanes, oxidation state, geometry, ligand, organometallic complexes, catalysis
699-701
Tromp, Moniek
48c1ebbb-579c-42b6-83bb-7188c668b322
Moulin, Jerome
568937e0-1a00-4347-9368-7ac2b13c1869
Reid, Gillian
37d35b11-40ce-48c5-a68e-f6ce04cd4037
Evans, John
05890433-0155-49fe-a65d-38c90ea25c69
2 February 2007
Tromp, Moniek
48c1ebbb-579c-42b6-83bb-7188c668b322
Moulin, Jerome
568937e0-1a00-4347-9368-7ac2b13c1869
Reid, Gillian
37d35b11-40ce-48c5-a68e-f6ce04cd4037
Evans, John
05890433-0155-49fe-a65d-38c90ea25c69
Tromp, Moniek, Moulin, Jerome, Reid, Gillian and Evans, John
(2007)
Cr K-edge XANES spectroscopy: ligand and oxidation
state dependence - what is oxidation state?
AIP Conference Proceedings, 882, .
(doi:10.1063/1.2644637).
Abstract
A series of Cr complexes varying in oxidation state, ligand and geometry were studied with Cr K-edge XANES. The main absorption edge energy shift for an oxidation state change from Cr° to Cr6+ is found to be similar to that for a series of Cr3+ complexes with different ligands. Theoretical XANES and density of states calculations using FEFF8.0 provided detailed insights in the origin of the XANES features for the series of distorted octahedral CrCl3L complexes. The geometry of the CrCl3L complex governs the position of the main absorption edge. Hard versus soft donor effects are overruled by the chlorine ligand for complexes with a facial geometry, whereas the chlorine ligand does not play a significant role in meridional geometry. The combined results call for a redefinition of generally used concepts like oxidation state.
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Published date: 2 February 2007
Additional Information:
X-Ray Absorption Fine Structure - XAFS13: 13th International Conference
Keywords:
chromium, xanes, oxidation state, geometry, ligand, organometallic complexes, catalysis
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Local EPrints ID: 47108
URI: http://eprints.soton.ac.uk/id/eprint/47108
ISSN: 1551-7616
PURE UUID: a9fe0ab1-bb73-4863-86a0-178bd9a58314
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Date deposited: 26 Jul 2007
Last modified: 16 Mar 2024 02:43
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Author:
Moniek Tromp
Author:
Jerome Moulin
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