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2011 | OriginalPaper | Chapter

10. Appendices

Authors : Prof. Dr. Philipp Gütlich, Dr. Eckhard Bill, Prof. Dr. Alfred X. Trautwein

Published in: Mössbauer Spectroscopy and Transition Metal Chemistry

Publisher: Springer Berlin Heidelberg

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Abstract

This paragraph presents a summary of the most relevant expressions provided by Long et al. [1] for the optimization of “thin” absorbers (effective thickness t ≪ 1) with high mass absorption. The result of this work is used in Sect. 3.3.2 of the book. Following the approach of [1], we adopt for the signal-to-noise ratio:
$$ {\rm SNR}{(}t^\prime {)} = \frac{{{N_{{S}}}(t^\prime )}}{{\sqrt {{\Delta {N_\infty }{{(t^\prime )}^2} + \Delta {N_0}{{(t^\prime )}^2}}} }}. $$
(A.1)

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Footnotes
1
A comparison between relativistic and nonrelativistic calculations shows that the correction factor S′(Z) is slightly different for 1s, 2s, and 3s electrons of iron. One finds for 3d5: S1s(Z) = 1.2619 for 3d6: S1s (Z) = 1.2619 S2s (Z) = 1.2998 S2s (Z) = 1.3002 S3s (Z) = 1.3079 S3s (Z) = 1.3077 These small differences are of great significance in the calculation of absolute electron densities.
 
2
In this context n is usually taken as a (positive) integer, as it would be used in a crystal field description, although a thorough quantum chemical calculation may yield a broken value. A d n configuration, defined in this sense, can be determined from the Mössbauer isomer shift by comparison with similar complexes with known (spectroscopic) oxidation numbers. Another powerful method is X-ray absorption spectroscopy, by which K- and L-edge energies of the central metal are evaluated for the assignment of metal oxidation states.
 
Metadata
Title
Appendices
Authors
Prof. Dr. Philipp Gütlich
Dr. Eckhard Bill
Prof. Dr. Alfred X. Trautwein
Copyright Year
2011
Publisher
Springer Berlin Heidelberg
DOI
https://doi.org/10.1007/978-3-540-88428-6_10

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