期刊
CHEMICAL PHYSICS LETTERS
卷 316, 期 5-6, 页码 495-500出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/S0009-2614(99)01358-5
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Ab initio self-consistent X-ray absorption near-edge structure (XANES) calculations for the Pt L-3 edge of (NH4)(2)PtCl4 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. (C) 2000 Elsevier Science B.V. All rights reserved.
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