Oxygen K-edge extended x-ray-absorption fine-structure studies of molecules containing oxygen and carbon atoms

B. X. Yang, J. Kirz, and T. K. Sham
Phys. Rev. A 36, 4298 – Published 1 November 1987
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Abstract

The absorption spectra of a group of selected molecules containing OC bonds, carbon monoxide, carbon dioxide, carbonyl sulfide, acetone, ethanol, diethylether, tetrahydrofuran, and dioxane, have been recorded in a transmission mode in the energy region from 500 to 1000 eV. Earlier observation of extended x-ray-absorption fine structure (EXAFS) in some of these molecules is confirmed. A systematic analysis of the EXAFS spectra is performed. The results in both phase and amplitude show disagreement with the single-electron single-scattering theory with plane-wave approximation. The measured phase is systematically lower than the theory of Teo and Lee [J. Am. Chem. Soc. 101, 2815 (1979)] by about 0.71.5 rad, which may be significant in determining interatomic distances. The EXAFS amplitude function in the molecules containing oxygen-carbon single bonds also shows an appreciable deviation (decrease) in the first-neighbor backscattering from that predicted by theory and an increase in the second-neighbor backscattering at high-k values.

  • Received 15 April 1987

DOI:https://doi.org/10.1103/PhysRevA.36.4298

©1987 American Physical Society

Authors & Affiliations

B. X. Yang and J. Kirz

  • Department of Physics, State University of New York at Stony Brook, New York 11794

T. K. Sham

  • Department of Chemistry, Brookhaven National Laboratory, New York 11973

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Vol. 36, Iss. 9 — November 1987

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