Issue 18, 2004
From the journal:

Physical Chemistry Chemical Physics

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

Moniek Tromp,a   Martijn Q. Slagt,b   Robertus J. M. Klein Gebbink,b   Gerard van Koten,b   David E. Ramakerc  and  Diek C. Koningsberger*a  

* Corresponding authors

a Debye Institute, Dept. Inorganic Chemistry and Catalysis, Utrecht University, P.O. Box 80083, Utrecht, The Netherlands
E-mail: D.C.Koningsberger@chem.uu.nl
Fax: +31 30 251 1027
Tel: +31 30 253 7400

b Debye Institute, Dept. Metal-Mediated Synthesis, Utrecht University, Padualaan 8, Utrecht, The Netherlands

c Dept. Chemistry and Materials Science Institute, George Washington University, Washington, USA

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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Article information

DOI
https://doi.org/10.1039/B407064J
Article type
Paper
Submitted
11 May 2004
Accepted
21 Jun 2004
First published
14 Jul 2004

Phys. Chem. Chem. Phys., 2004,6, 4397-4406

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

M. Tromp, M. Q. Slagt, R. J. M. Klein Gebbink, G. van Koten, D. E. Ramaker and D. C. Koningsberger, Phys. Chem. Chem. Phys., 2004, 6, 4397 DOI: 10.1039/B407064J

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