Theoretical X-ray Spectroscopy of Iron Complexes

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.