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Why Does the Active Form of Galactose Oxidase Possess a Diamagnetic Ground State?

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1998

Year

Abstract

The relative orientation of the two magnetic orbitals, the Cu<sup>II</sup> d x 2-y 2 orbital and the half-occupied π orbital of the tyrosyl radical, is the key to answering the question in the title. The arrangement shown (Cu<sup>II</sup> -O-C bond angle of about 130° and a dihedral angle of about 90° between the x,y plane of the Cu<sup>II</sup> polyhedron and the tyrosyl ring plane) leads to an overlap of the orbitals, which results in a singlet ground state.