Article ID Journal Published Year Pages File Type
1257448 Current Opinion in Chemical Biology 2009 15 Pages PDF
Abstract

FeIIIOOH and FeIVO intermediates have now been documented in a number of nonheme iron active sites. In this Current Opinion we use spectroscopy combined with electronic structure calculations to define the frontier molecular orbitals (FMOs) of these species and their contributions to reactivity. For the low-spin FeIIIOOH species in activated bleomycin we show that the reactivity of this nonheme iron intermediate is very different from that of the analogous Compound 0 of cytochrome P450. For FeIVO S = 1 model species we experimentally define the electronic structure and its contribution to reactivity, and computationally evaluate how this would change for the FeIVO S = 2 intermediates found in nonheme iron enzymes.

Related Topics
Physical Sciences and Engineering Chemistry Chemistry (General)
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