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Fenske-Hall Approximate Molecular Orbital Analysis Of The Chelating Carbene Complex Eta5-Cp'(Co)Mn{C(Oet)Ch2pph2}, John P. Graham
Fenske-Hall Approximate Molecular Orbital Analysis Of The Chelating Carbene Complex Eta5-Cp'(Co)Mn{C(Oet)Ch2pph2}, John P. Graham
Journal of the Arkansas Academy of Science
The novel three legged piano stool chelating carbene complex, Cp'(CO)Mn{C(OEt)CH2PPh2}, 1, exhibits interesting structural, spectroscopic and electrochemical properties. It also readily undergoes reaction with CO to produce the three legged piano stool complex Cp'(CO)2{PPh2C(OEt)=CH2}, 2. This is in contrast to the analogous non-chelating complex Cp(CO)(PPh3)Mn{C(OMe)CH2CH3}, 3, which does not react with CO. This paper discusses the results of Fenske-Hall approximate molecular orbital calculations on model complexes for 1 and 3. The differences in spectroscopic and electrochemical properties are explained using molecular orbital analysis. Possible reasons for the enhanced reactivity of 1are also presented.