Rate coefficients of hydroxyl radical reaction with 1-chlorocyclopentene over a temperature range of 262–335 K
| Autor: | Mohini P. Walavalkar, Anmol Virmani, Prakash D. Naik, Asmita Sharma, Ankur Saha, Awadhesh Kumar, Sumana SenGupta |
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| Rok vydání: | 2021 |
| Předmět: |
Addition reaction
General Physics and Astronomy 02 engineering and technology Atmospheric temperature range 010402 general chemistry 021001 nanoscience & nanotechnology Hydrogen atom abstraction 01 natural sciences Fluorescence 0104 chemical sciences chemistry.chemical_compound chemistry Physical chemistry Hydroxyl radical Molecular orbital Physical and Theoretical Chemistry Total pressure 0210 nano-technology |
| Zdroj: | Chemical Physics Letters. 778:138816 |
| ISSN: | 0009-2614 |
| DOI: | 10.1016/j.cplett.2021.138816 |
| Popis: | The rate coefficients for reactions of 1-chlorocyclopentene with OH have been measured in the temperature range of 262–335 K, at total pressure of 30 Torr, using Laser Photolysis-Laser Induced Fluorescence. The rate coefficient can be expressed as k(T)=(6.32 ± 1.16) × 10-12 exp((669 ± 45)/T) cm3molecules-1s−1, and thus it depends weakly on temperature. It decreases with increasing temperature, which was attributed to formation of a pre-reactive complex between reactants. Molecular orbital calculations confirm participation of such a complex during an addition reaction, and also predict several other hydrogen abstraction pathways. The studies suggest the dominance of addition reaction over H atom abstraction in the reaction of 1-chlorocyclopentene with OH. |
| Databáze: | OpenAIRE |
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