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

Journal article

Density functional theory reveals multiple pathways for intramolecular hydride transfer in the cyclopentadienyl and indenyl species (η 5-C 5H 5)Fe(CO) 3H and (η 5-C 9H 7)Fe(CO) 3H. The ability of the indenyl ligand to undergo facile η 5- to η 3-'ring slippage' stabilises the isomer where the hydride is bonded directly to the metal, which opens up a low-energy pathway for hydride transfer from CO to metal. © 2008 Elsevier B.V. All rights reserved.

Authors: Ahmed, H; McGrady, J

• Publication status: Published
• Journal: JOURNAL OF ORGANOMETALLIC CHEMISTRY
• Volume: 693
• Issue: 25
• Pages: 3697-3702
• Publication date: 2008-12-01
• DOI: 10.1016/j.jorganchem.2008.09.022
• ISSN: 0022-328X
• Language: English
• Keywords: Indenyl effect; Metal hydride; Density functional theory