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URN: urn:nbn:de:swb:90-380522

Theoretical X-ray Spectroscopy of Iron Complexes

Atkins, Andrew J.

This thesis discusses both theoretical developments for the calculation of X-ray spectra and applications of quantum-chemical methods to the calculation and interpretation of experimental X-ray spectra. The applications focus on the use of high-resolution experiments, which provide more detail in the spectra compared to conventional X-ray spectroscopy, on iron complexes. In particular, ferrocene derivatives and iron carbonyl complexes are considered.

Zugehörige Institution(en) am KIT Institut für Physikalische Chemie (IPC)
Publikationstyp Hochschulschrift
Jahr 2013
Sprache Englisch
Identifikator KITopen-ID: 1000038052
Verlag Karlsruhe
Abschlussart Dissertation
Fakultät Fakultät für Chemie und Biowissenschaften (CHEM-BIO)
Institut Institut für Physikalische Chemie (IPC)
Prüfungsdaten 25.10.2013
Referent/Betreuer Dr. C. R. Jacob
Schlagworte X-ray Absorption Spectroscopy, X-ray Emission Spectroscopy, Theoretical Chemistry, Computational Spectroscopy, Transition Metal Complexes,
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