Probing the chemistry of organomanganese complexes: Correlation of chemical reactivity, manganese-55 NMR chemical shifts, and molecular orbital studies of organomanganese complexes. Aromaticity of an organomanganese complex

Article abstract of DOI:10.1021/om00108a001

Manganese-55 nuclear magnetic resonance spectroscopy has been employed to probe the structure of various organomanganese(I) complexes. The chemical shift of the metal is indicative of the electron distribution in the complexes and can be correlated with the chemical reactivity of the respective complexes. Molecular orbital calculations were performed upon metallacyclic complexes of manganese in an investigation of bonding, electron distribution, and reactivity. The role of a carbonyl oxygen heteroatom in stabilization of these complexes was examined in order to explain experimental evidence for aromatic character observed for an unsaturated manganacycle.