Hybridization peaks in Pt–Cl XANES1Supported in part by the US DOE and by UOP LLC.1
2000; Elsevier BV; Volume: 316; Issue: 5-6 Linguagem: Inglês
10.1016/s0009-2614(99)01358-5
ISSN1873-4448
AutoresA. L. Ankudinov, J. J. Rehr, Simon R. Bare,
Tópico(s)Electron and X-Ray Spectroscopy Techniques
ResumoAb initio self-consistent X-ray absorption near-edge structure (XANES) calculations for the Pt L3 edge of (NH4)2PtCl4 and K2PtCl6 are in good agreement with experiment. These results allow us to assign a notable postedge XANES feature as a `hybridization peak', i.e., a mixture between the photoelectron state and unoccupied, atomic Cl 3d-states, mediated by multiple-scattering. An analogous interpretation applies to certain `pre-edge' peaks. A characteristic of such peaks is their approximate energy independence, in contrast to X-ray absorption fine-structure peaks. For Pt–Cl compounds, this suggests a way of monitoring the number of neighboring atoms in chemical processes using XANES.
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