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

Ahmed, H. and McGrady, J. E. (2008) On the role of the indenyl effect in controlling intramolecular hydride transfer in iron carbonyl complexes. Journal of Organometallic Chemistry, 693(25), pp. 3697-3702. (doi:10.1016/j.jorganchem.2008.09.022)

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Abstract

Density functional theory reveals multiple pathways for intramolecular hydride transfer in the cyclopentadienyl and indenyl species (eta(5)-C5H5)Fe(CO)(3)H and (eta(5)-C9H7)Fe(CO)(3)H. The ability of the indenyl ligand to undergo facile eta(5)- to eta(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. .

Item Type:Articles
Keywords:<(ETA-5-INDENYL)FE(CO)3>BF4 CHEMISTRY CO COMPLEX COMPLEXES DENSITY Density functional theory GAS-PHASE Indenyl effect IRON LIGAND MECHANISM Metal hydride ORBITALS PATHWAY PHOSPHINE REDUCTION SUBSTITUTION
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:McGrady, Prof John
Authors: Ahmed, H., and McGrady, J. E.
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Journal of Organometallic Chemistry
ISSN:0022-328X

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