Alkylindium(I) vs Carbon Monoxide Bridges in Binuclear Iron Carbonyl Complexes:  A Theoretical Study

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The lowest energy C4F8Fe(CO)4 structure is not the experimentally known ferracyclopentane complex but instead isomeric (perfluorobutene)iron tetracarbonyls. However, activation energies for the fluorine shifts required to form the latter isomers are very high. The lowest energy (C4F8)2Fe2(CO)n (n = 7, 6) structures have bridging perfluorocarbene and terminal perfluoroolefin ligands.


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