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BBonding in minerals: the application of PAX (photoelectron and X-ray) spectroscopy to the direct determination of electronic structure

Published online by Cambridge University Press:  05 July 2018

David S. Urch
David S. Urch*
Affiliation:
Chemistry Department, Queen Mary College, Mile End Road, London E14NS, UK
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Abstract

X-ray photoelectron spectroscopy can be used to measure the ionization energies of electrons in both valence band and core orbitals. As core vacancies are the initial states for X-ray emission, a knowledge of their energies for all atoms in a mineral enables all the X-ray spectra to be placed on a common energy scale. X-ray spectra are atom specific and are governed by the dipole selection rule. Thus the individual bonding roles of the different atoms are revealed by the fine structure of valence X-ray peaks (i.e. peaks which result from electron transitions between valence band orbitals and core vacancies). The juxtaposition of such spectra enables the composition of the molecular orbitals that make up the chemical bonds of a mineral to be determined.

Examples of this approach to the direct determination of electronic structure are given for silica, forsterite, brucite, and pyrite. Multi-electron effects and developments involving anisotropic X-ray emission from single crystals are also discussed.

Keywords

X-ray emission spectroscopyX-ray photoelectron spectroscopyelectronic structure
Type
Research Article
Information
Mineralogical Magazine , Volume 53 , Issue 370 , April 1989 , pp. 153 - 164
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 1989

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