By Boon K. Teo
The phenomenon of prolonged X-Ray Absorption superb constitution (EXAFS) has been recognized for a while and used to be first taken care of theoretically through Kronig within the Thirties. contemporary advancements, initiated by means of Sayers, Stern, and Lytle within the early Nineteen Seventies, have resulted in the popularity of the structural content material of this system. whilst, the supply of synchrotron radiation has tremendously more suitable either the purchase and the standard of the EXAFS facts over these available from traditional X-ray resources. Such advancements have verified EXAFS as a strong instrument for constitution reports. EXAFS has been effectively utilized to quite a lot of major clinical and technological platforms in lots of assorted fields comparable to inorganic chemistry, biochemistry, catalysis, fabric sciences, and so forth. this can be very valuable for structures the place single-crystal diffraction strategies usually are not easily appropriate (e.g., fuel, liquid, resolution, amorphous and polycrystalline solids, surfaces, polymer, etc.). although the EXAFS method and purposes have matured drastically during the last decade or so, no introductory textbook exists. EXAFS: easy rules and information research represents my modest try to fill this type of hole. during this e-book, I goal to introduce the subject material to the amateur and to aid alleviate the confusion in EXAFS information research, which, even supposing turning into progressively more regimen, remains to be a slightly tough recreation and will, now and then, discourage the beginners.
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Additional info for EXAFS: Basic Principles and Data Analysis
Since the effective photon mass is negligible compared with that of the atom, the elastically scattered photon carries away all its initial energy, giving rise to no loss in energy (or change in wavelength). The Rayleigh scattering cross-section for atoms is proportional to the square of the atomic scattering factor integrated over all directions and hence is proportional to Z2. However, since the photoelectric absorption increases as Rayleigh scattering is in general less important than true absorption except at low photon energies and/or for light elements.
In order to determine Nand (1, F(k) must be known reasonable well; similarly, in order to determine r, q,(k) must be known accurately. In practice, F(k) and q,(k) can be determined empirically from model compounds of known structure (cf Chapter 6) or calculated theoretically (cf Chapter 7) from first principles. Structural determinations via EXAFS depend on the feasibility of resolving the data into individual waves corresponding to the different types of neighbors of the absorbing atom. This can be accomplished by either curve-fitting or Fourier transform techniques.
The theory and the use of multiple scattering formalism in bond angle determination will be discussed in Chapter 8. Finally, it should be emphasized that the phase shifts are unique only if the energy thresholds, Eo, are specified (cf Chapter 7). Changing Eo will change the momentum k and hence the phase shift function ¢(k). It is clear then that, in order to fit experimental data based upon some empirical Eo with theoretical phase shifts or phase shifts derived from some model compounds. we must allow Eo to vary.