A Simple Route to Keto-Substituted (η⁵-Cyclohexadienyl)Mn(CO)₃ Complexes Using Organomanganese Transmetalation: Structural and Theoretical Characterizations

Efficient synthesis of keto-substituted (η5-cyclohexadienyl)Mn(CO)3 complexes is achieved by organomanganese transmetalation catalyzed by Fe(acac)3. Density functional theory (DFT) calculations highlight the influence of the keto group position on the strength of conjugation between the RCO function and the cyclohexadienyl ring and shed light on the regioselectivity of nucleophilic attacks on such complexes.