Abstract
The nature of the bonding in ferrocene is discussed on the basis of an ab initio LCAO MO SCF calculation, with the emphasis put on a number of controversial points such as: i) the relative ordering of the orbitals e 2g(3d) and a 1g(3d); ii) the relative ordering of the 3 1u and e 1g ligand π orbitals; and iii) the degree of participation of the metal 4s and 4p orbitals to the bonding.
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