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Structure, Magnetochemistry and Biological Relevance of [Mn 4 O 3 Cl 4 (OAc) 3 (py) 3 ], a Complex with S = 9/2 Ground State

1988; Wiley; Volume: 27; Issue: 12 Linguagem: Inglês

10.1002/anie.198817311

1521-3773

Qiaoying Li, John B. Vincent, Eduardo Libby, Hsiu‐Rong Chang, John C. Huffman, Peter D. W. Boyd, George Christou, David N. Hendrickson,

Spectroscopy and Quantum Chemical Studies

The title compound 1 is a model for the MnMnIV center near the photosystem II. It follows from the dependence of the susceptibility of 1 on temperature and field strength that its magnetic properties are determined both by ferromagnetic as well as antiferromagnetic interactions and that the ground state has a spin of 9/2. The first excited states should be more than 200 cm−1 energy-richer than the ground state.