Magnetic circular dichroism and computational study of mononuclear and dinuclear iron(<scp>iv</scp>) complexes

Shengfa Ye; Genqiang Xue; Itana Krivokapic̃; Taras Petrenko; Eckhard Bill; Lawrence Que; Frank Neese

doi:10.1039/c4sc03268c

Magnetic circular dichroism and computational study of mononuclear and dinuclear iron(<scp>iv</scp>) complexes

Chemical Science 6(5): 2909-2921

Article 2015 English

Abstract

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The electronic structures of mononuclear and dinuclear iron(<sc>iv</sc>) complexes are studied using magnetic circular dichroism and wavefunction-based<italic>ab initio</italic>methods, and then correlated with their similar reactivities toward H- and O-atom transfer.

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Magnetic circular dichroism and computational study of mononuclear and dinuclear iron(<scp>iv</scp>) complexes

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