Ligand field and molecular orbital theories of transition metal X-ray absorption edge transitions

Hocking, Rosalie K., and Solomon, Edward I. (2012) Ligand field and molecular orbital theories of transition metal X-ray absorption edge transitions. In: Mingos, D. Michael P., Day, Peter, and Dahl, Jens Peder, (eds.) Molecular Electronic Structures of Transition Metal Complexes I. Structure and Bonding, 142 . Springer, New York, NY, USA, pp. 155-184.

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Abstract

Carl Ballhausen made a wide range of seminal contributions to ligand field theory and its application to ground state and ligand field excited state spectroscopies. These provided a fundamental basis for probing the nature of transition metal complexes using their visible spectra and a range of magnetic spectroscopies. The advent of synchrotrons provided access to high flux electromagnetic radiation that could be tuned across a wide range of energies including X-ray. This expanded the scope of spectroscopic techniques available to inculde X-ray Absorption Edge Spectroscopies. Paralleling a visible absorption experiment, X-ray spectra (metal K-edge, i.e. 1s→3d and metal L-edge, i.e. 2p→3d) taken at a synchrotron are dominated by ligand field splittings, electron repulsion effects and covalency. These can be used to obtain important insight into the properties of a diverse range of materials from solar cells to the catalytic centers of metalloenzymes. Herein we systematically consider applications of ligand field theory to X-ray absorption edge transitions.

Item ID: 34660
Item Type: Book Chapter (Research - B1)
ISBN: 978-3-642-27370-4
ISSN: 1616-8550
Keywords: ligand-field theory, spectroscopy, magnetism, X-ray absorption spectroscopy, synchrotron, molecular orbital theory
Funders: National Institute of Health (NIH), National Science Foundation (NSF)
Projects and Grants: NIH GM 040392, NSF CHE 0948211
Date Deposited: 02 Sep 2014 01:27
FoR Codes: 03 CHEMICAL SCIENCES > 0302 Inorganic Chemistry > 030207 Transition Metal Chemistry @ 100%
SEO Codes: 97 EXPANDING KNOWLEDGE > 970103 Expanding Knowledge in the Chemical Sciences @ 100%
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