Abstract
Calculated electron densities based on INDO molecular orbital calculations for aromatic carbon atoms and for iron 3d-orbitals in a series of complexes of chelating N-heterocycles (e.g. 2,2′-bipyridyl) form the basis of a discussion for possible sites of nucleophilic substitution. Calculated charges on the ring atoms of quaternized and coordinated 1,10-phenanthroline are also compared.
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