Electronic structure and magnetic properties of a trigonal prismatic Cu(II)6 cluster.
A combination of detailed magnetisation studies and electronic-structure analysis using broken-symmetry DFT is used to explore the electronic structure of a trigonal prismatic Cu(II)(6) cluster. The presence of six paramagnetic metal centres with S = 1/2 gives rise to a maximum multiplicity of S = 3...
| Main Authors: | , , , , , , |
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| Formato: | Journal article |
| Idioma: | English |
| Publicado: |
2009
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