On the electronic origins of structural isomerism in the iron-sulfur cubane, [(C(5)H(5))(4)Fe(4)S(4)](2+).
Density functional theory provides new insights into the structural isomerism observed in the cyclopentadienyl-capped iron-sulfur cluster, [(C(5)H(5))(4)Fe(4)S(4)](2+). Two distinct, closely spaced minima have been located, a triplet with D(2) symmetry and a C(2)-symmetric singlet, both of which cor...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2003
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