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 |
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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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