Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.jorganchem.2005.10.010
Title: Methyl abstraction kinetics of CpFe(CO)2Me using the benzyl radical clock
Authors: Chong, T.S.
Chwee, T.S.
Leong, W.K. 
Wong, M.W. 
Fan, W.Y. 
Keywords: IR spectroscopy
Methyl abstraction
Radical clock
Issue Date: 1-Feb-2006
Source: Chong, T.S., Chwee, T.S., Leong, W.K., Wong, M.W., Fan, W.Y. (2006-02-01). Methyl abstraction kinetics of CpFe(CO)2Me using the benzyl radical clock. Journal of Organometallic Chemistry 691 (4) : 687-692. ScholarBank@NUS Repository. https://doi.org/10.1016/j.jorganchem.2005.10.010
Abstract: The rate constant for the methyl abstraction reaction of CpFe(CO) 2Me has been measured with the benzyl radical clock as (1.1 ± 0.2) × 105 M-1 s-1 at room temperature. Time-resolved Fourier-transform Infrared (FTIR) absorption spectroscopy pointed towards the formation of the CpFe(CO)2 radical upon benzyl abstraction. The main stable product has been established by a linear scan of the reaction mixture as Cp2Fe2(CO)4 produced by the dimerization of the CpFe(CO)2 radicals. The transition state structure for the abstraction process was also found at UB3LYP/6-311+G* level of theory to contain a planar CH3 group. © 2005 Elsevier B.V. All rights reserved.
Source Title: Journal of Organometallic Chemistry
URI: http://scholarbank.nus.edu.sg/handle/10635/94221
ISSN: 0022328X
DOI: 10.1016/j.jorganchem.2005.10.010
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