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|Title:||FTIR and computational studies of gas-phase hydrogen atom abstraction kinetics by t-butoxy radical||Authors:||Li, S.
|Issue Date:||31-Aug-2006||Citation:||Li, S., Fan, W.Y. (2006-08-31). FTIR and computational studies of gas-phase hydrogen atom abstraction kinetics by t-butoxy radical. Chemical Physics Letters 427 (4-6) : 276-280. ScholarBank@NUS Repository. https://doi.org/10.1016/j.cplett.2006.06.100||Abstract:||By using Fourier-Transform Infrared (FTIR) absorption spectroscopy, rate coefficients in the range of 10-16 to 10-14 cm3 molecule-1 s-1 have been determined for the hydrogen atom abstraction reactions of several substrates including halogenated organic compounds and amines by t-butoxy radical generated from the uv photolysis of t-butyl nitrite in the gas phase. Arrhenius parameters for selected reactions have been measured in the temperature range 299-318 K. Transition states and activation barriers for such reactions have been computed with the help of Gaussian 03 software and found to match very well with the experimental values. © 2006 Elsevier B.V. All rights reserved.||Source Title:||Chemical Physics Letters||URI:||http://scholarbank.nus.edu.sg/handle/10635/93863||ISSN:||00092614||DOI:||10.1016/j.cplett.2006.06.100|
|Appears in Collections:||Staff Publications|
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