Theoretical Spectroscopies of Iron-Containing Enzymes and Biomimetics
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Copyright © 2011 Royal Society of Chemistry. All rights reserved
Staff and Students of Avondale College may access Iron-containing enzymes: Versatile catalysts of hydroxylation reactions in nature from Avondale College Library (572.7517 V82)
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Abstract
Spectroscopic methods play an important role in the study of iron-containing enzymes particularly for the study of reactive species, which are often difficult to characterize via crystallography. Theoretical spectroscopy, in combination with traditional quantum chemistry, is a powerful tool for the study of reactive intermediates. In this chapter the theory and applications of theoretical Mossbauer (MB), electron paramagnetic resonance (EPR), absorption spectra (ABS) and X-ray absorption spectroscopy (XAS), and nuclear resonance vibrational spectroscopy (NRVS) are described with a focus on the contribution that theoretical spectroscopy has made to the study of high-valent iron-oxo species in enzymatic and biomimetic systems.
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Ye, S., Christian, G. J., Geng, C., & Neese, F. (2011). Theoretical spectroscopies of iron-containing enzymes and biomimetics. In S. de Visser, & D. Kumar (Eds.), Iron-containing enzymes: Versatile catalysts of hydroxylation reactions in nature (pp. 119-147). Cambridge, England: Royal Society of Chemistry.