Browsing by Author "Subramanian, Rajagopalan"

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    Mössbauer spectroscopy, nuclear inelastic scattering and density functional theory studies on oxobridged iron complexes and their reaction under Gif-type conditions
    (2010) Subramanian, Rajagopalan; Asthalter, Tanja (Priv.-Doz. Dr. rer. nat.)
    This dissertation comprises studies of the Gif reaction of trinuclear oxobridged iron complexes aimed at predicting the intermediates formed during the Gif reaction. The experimental techniques used in these studies were 57Fe transmission Mössbauer spectroscopy and synchrotron-based nuclear inelastic scattering (NIS). Quantum mechanical calculations based on density functional theory were also used to interpret the experimental results. Because NIS has rarely been applied to study catalytic reactions and nonheme and sulphur-free proteins with at least two iron centered complexes, we first used the Michael reaction to validate the reliability of the NIS technique before applying it to frozen solutions of the Gif reaction. The vibrational dynamics of another trinuclear oxobridged iron complex studied using the three above-mentioned methods together with Raman spectroscopy is also discussed in a separate chapter. One chapter is dedicated to a discussion of the instrumentation of a 57Fe transmission Mössbauer spectrometer built in the frame of this dissertation. This instrument can be used to analyze samples at room temperature with good instrumental resolution.