Abstract
Semiempirical all valence electrons extended Hückel molecular orbital calculations of the charge self consistent type were performed on the possible adducts obtained from the interaction of 9-methyl-2,4,6,8-nona-tetraenal and iron tricarbonyl. The organic moiety offers three different butadiene fragments, and the stability of the possible isomers obtained is predicted. In addition the electron densities on the various atoms of the molecules were calculated, and hence their susceptibility to substitution reactions is analyzed.