On the role of the indenyl effect in controlling intramolecular hydride transfer in iron carbonyl complexes

Density functional theory reveals multiple pathways for intramolecular hydride migration between metal and ligand in cyclopentadienyl and indenyl iron carbonyl complexes. Facile ring slippage in the indenyl case opens up a low-energy channel for transfer of hydride from CO to iron, and hence for decomposition of transient formyl species.