Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Yang, Tsung-Ju | en_US |
dc.contributor.author | Wang, Niann S. | en_US |
dc.contributor.author | Lee, L. C. | en_US |
dc.contributor.author | Xu, Z. F. | en_US |
dc.contributor.author | Lin, M. C. | en_US |
dc.date.accessioned | 2014-12-08T15:10:46Z | - |
dc.date.available | 2014-12-08T15:10:46Z | - |
dc.date.issued | 2008-10-16 | en_US |
dc.identifier.issn | 1089-5639 | en_US |
dc.identifier.uri | http://dx.doi.org/10.1021/jp805311u | en_US |
dc.identifier.uri | http://hdl.handle.net/11536/8243 | - |
dc.description.abstract | The rate constant for the NCN + NO2 reaction has been measured by a laser photolysis/laser-induced fluorescence technique in the temperature range of 260-296 K at pressures between 100 and 500 Torr with He and N-2 as buffer gases. The NCN radical was produced from the photolysis of NCN3 at 193 nm and monitored by laser-induced fluorescence with a dye laser at 329.01 nm. The rate constant was found to increase with pressure but decrease with temperature, indicating that the reaction occurs via a long-lived intermediate stabilized by collisions with buffer gas. The reaction mechanism and rate constant are also theoretically predicted for the temperature range of 200-2000 K and the He and N-2 pressure range of 10(-4) Torr to 1000 atm based on dual-channel Rice-Ramsperger-Kassel-Marcus (RRKM) theory with the potential energy surface evaluated at the G2M//B3LYP/6-311+G(d) level. In the low-temperature range (< 700 K), the most favorable reaction is the barrierless association channel that leads to the intermediate complex (NCN-NO2). At high temperature, the direct O-abstraction reaction with a barrier of 9.8 kcal/mol becomes the dominant channel. The rate constant calculated by RRKM theory agrees reasonably well with experimental data. | en_US |
dc.language.iso | en_US | en_US |
dc.title | Kinetics and Mechanism of the NCN+NO2 Reaction Studied by Experiment and Theory | en_US |
dc.type | Article | en_US |
dc.identifier.doi | 10.1021/jp805311u | en_US |
dc.identifier.journal | JOURNAL OF PHYSICAL CHEMISTRY A | en_US |
dc.citation.volume | 112 | en_US |
dc.citation.issue | 41 | en_US |
dc.citation.spage | 10185 | en_US |
dc.citation.epage | 10192 | en_US |
dc.contributor.department | 應用化學系 | zh_TW |
dc.contributor.department | 應用化學系分子科學碩博班 | zh_TW |
dc.contributor.department | Department of Applied Chemistry | en_US |
dc.contributor.department | Institute of Molecular science | en_US |
dc.identifier.wosnumber | WOS:000259943100015 | - |
dc.citation.woscount | 7 | - |
Appears in Collections: | Articles |
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