Molecular orbital electronegativities of transition metal fragments: A MO approach based on the transition operator method

The molecular orbital electronegativities χ of various transition metal fragments have been investigated by means of the “transition operator (TO) method” within a semi-empirical INDO Hamiltonian. The calculated electronegativities χ(TO) are discussed with respect to the donor and acceptor properties of the studied complexes. It is found that the values χ(TO) can be correlated with experimental and theoretical data concerning the nature of the chemical bond in transition metal derivatives.