Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.cplett.2006.06.100
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dc.titleFTIR and computational studies of gas-phase hydrogen atom abstraction kinetics by t-butoxy radical
dc.contributor.authorLi, S.
dc.contributor.authorFan, W.Y.
dc.date.accessioned2014-10-16T08:29:19Z
dc.date.available2014-10-16T08:29:19Z
dc.date.issued2006-08-31
dc.identifier.citationLi, 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
dc.identifier.issn00092614
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/93863
dc.description.abstractBy 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.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1016/j.cplett.2006.06.100
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentCHEMISTRY
dc.description.doi10.1016/j.cplett.2006.06.100
dc.description.sourcetitleChemical Physics Letters
dc.description.volume427
dc.description.issue4-6
dc.description.page276-280
dc.description.codenCHPLB
dc.identifier.isiut000240160900008
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