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Atomic XAFS as a probe of electron transfer within organometallic complexes: data analysis and theoretical calculations

Atomic XAFS as a probe of electron transfer within organometallic complexes: data analysis and theoretical calculations
Atomic XAFS as a probe of electron transfer within organometallic complexes: data analysis and theoretical calculations
The atomic XAFS (AXAFS) contributions in the Pt L2,3 X-ray absorption fine structure spectra (XAFS) of [PtCl(NCN)-Z] pincer complexes are shown to be a sensitive probe of changes in the electron density on the Pt atom induced by changes in a para-substituent on the neighboring benzene ring. Such electron density information is similar yet complementary to NMR data. These complexes provide a unique system for examining inductive effects on the AXAFS data, since the geometry around the Pt atom remains unchanged. An initial brief report on this work has been given previously. In this paper a more complete description of the AXAFS isolation technique and theoretical interpretation is given. The isolation of the AXAFS contributions from the XAFS spectrum is extensively described. The dependence of the AXAFS shape and intensity on the Pt atom electron density are shown and discussed in detail.
1463-9076
4397-4406
Tromp, Moniek
48c1ebbb-579c-42b6-83bb-7188c668b322
Slagt, Martijn Q.
9197710e-4fdc-4598-9593-db38e49c886a
Klein-Gebbink, Robertus J.M.
7c880522-bf2d-485c-a6f4-bd1777d0d8cd
van Koten, Gerard
980d21db-2099-495a-bc55-548d8ec7e416
Ramaker, David E.
b6046329-366d-46f1-ab75-d30efda8f724
Koningsberger, Diek C.
4b5f2fc7-cfc5-4eb2-acab-9e5e0d637639
Tromp, Moniek
48c1ebbb-579c-42b6-83bb-7188c668b322
Slagt, Martijn Q.
9197710e-4fdc-4598-9593-db38e49c886a
Klein-Gebbink, Robertus J.M.
7c880522-bf2d-485c-a6f4-bd1777d0d8cd
van Koten, Gerard
980d21db-2099-495a-bc55-548d8ec7e416
Ramaker, David E.
b6046329-366d-46f1-ab75-d30efda8f724
Koningsberger, Diek C.
4b5f2fc7-cfc5-4eb2-acab-9e5e0d637639

Tromp, Moniek, Slagt, Martijn Q., Klein-Gebbink, Robertus J.M., van Koten, Gerard, Ramaker, David E. and Koningsberger, Diek C. (2004) Atomic XAFS as a probe of electron transfer within organometallic complexes: data analysis and theoretical calculations. Physical Chemistry Chemical Physics, 6 (18), 4397-4406. (doi:10.1039/b407064j).

Record type: Article

Abstract

The atomic XAFS (AXAFS) contributions in the Pt L2,3 X-ray absorption fine structure spectra (XAFS) of [PtCl(NCN)-Z] pincer complexes are shown to be a sensitive probe of changes in the electron density on the Pt atom induced by changes in a para-substituent on the neighboring benzene ring. Such electron density information is similar yet complementary to NMR data. These complexes provide a unique system for examining inductive effects on the AXAFS data, since the geometry around the Pt atom remains unchanged. An initial brief report on this work has been given previously. In this paper a more complete description of the AXAFS isolation technique and theoretical interpretation is given. The isolation of the AXAFS contributions from the XAFS spectrum is extensively described. The dependence of the AXAFS shape and intensity on the Pt atom electron density are shown and discussed in detail.

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Published date: 2004

Identifiers

Local EPrints ID: 46519
URI: http://eprints.soton.ac.uk/id/eprint/46519
ISSN: 1463-9076
PURE UUID: c8363276-60a8-4be7-9916-eebd30b70968

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Date deposited: 04 Jul 2007
Last modified: 15 Mar 2024 09:24

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Contributors

Author: Moniek Tromp
Author: Martijn Q. Slagt
Author: Robertus J.M. Klein-Gebbink
Author: Gerard van Koten
Author: David E. Ramaker
Author: Diek C. Koningsberger

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