| Literature DB >> 29711069 |
Jochen Müller1, Thomas Weyhermüller1, Eckhard Bill1, Peter Hildebrandt1, Linda Ould-Moussa1, Thorsten Glaser1, Karl Wieghardt1.
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. © 1998 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany.Entities:
Keywords: Bioinorganic chemistry; Copper; Oxidases; Phenoxyl complexes; Radical ions
Year: 1998 PMID: 29711069 DOI: 10.1002/(SICI)1521-3773(19980316)37:5<616::AID-ANIE616>3.0.CO;2-4
Source DB: PubMed Journal: Angew Chem Int Ed Engl ISSN: 1433-7851 Impact factor: 15.336