Abstract
Bonding in the nitric oxide and carbon monoxide adducts of haemoglobin and coboglobin has been investigated using SCCEHMO theory. Strong pi bonding is evident in all cases and metal-ligand orbital mixing has occurred to such an extent that formal valence has little meaning. Carbon monoxide is predicted to form the stronger bond with both metals. Mössbauer and esr data have been successfully calculated in appropriate cases to test the theoretical model and predicted electron configurations.
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