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Why Does the Active Form of Galactose Oxidase Possess a Diamagnetic Ground State?
Jochen Müller1, Thomas Weyhermüller1, Eckhard Bill1
1Max-Planck-Institut für Strahlenchemie, Stiftstrasse 34-36, D-45470 Mülheim an der Ruhr (Germany), Fax: +(49) 208-306-3952.
Abstract:
The relative orientation of the two magnetic orbitals, the CuII 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 (CuII -O-C bond angle of about 130° and a dihedral angle of about 90° between the x,y plane of the CuII polyhedron and the tyrosyl ring plane) leads to an overlap of the orbitals, which results in a singlet ground state.
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