Effects of Noncovalent Interactions on High-Spin Fe(IV)-Oxido Complexes.

ABSTRACT: High-valent nonheme Fe^IV-oxido species are key intermediates in biological oxidation, and their properties are proposed to be influenced by the unique microenvironments present in protein active sites. Microenvironments are regulated by noncovalent interactions, such as hydrogen bonds (H-bonds) and electrostatic interactions; however, there is little quantitative information about how these interactions affect crucial properties of high valent metal-oxido complexes. To address this knowledge gap, we introduced a series of Fe^IV-oxido complexes that have the same S = 2 spin ground state as those found in nature and then systematically probed the effects of noncovalent interactions on their electronic, structural, and vibrational properties. The key design feature that p

SUBMITTER: Oswald VF 

PROVIDER: S-EPMC7899053 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature