## 摘要

The kinetics for the reactions of C_{6}H_{5} with phenylacetylene and styrene have been measured by CRDS in the temperature range 297-409 K under an Ar pressure of 3.6 Torr. The total rate constants can be given by the following Arrhenius expressions (in units of cm^{3} mol^{-1} s^{-1}): k_{1}(C_{6}H_{5} + C_{6}H_{5}C_{2}H) = 10^{13.0±0.1} exp[-(2430 ± 150)/RT and k_{2}(C_{6}H_{5} + C_{6}H_{5}C_{2}H_{3}) = 10 ^{13.3±0.1} exp [-(2570 ± 180)/T]. Additional DFT and MP2 calculations have been carried out to assist our interpretation of the measured kinetic data. The addition of C_{6}H_{5} to the terminal CH _{x} (x = 1 or 2) sites is predicted to be the dominant channel for both reactions. The calculated bimolecular rate constants are in reasonable agreement with experimental values for the temperature range studied.

原文 | English |
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頁（從 - 到） | 249-256 |

頁數 | 8 |

期刊 | Proceedings of the Combustion Institute |

卷 | 31 I |

發行號 | 1 |

DOIs | |

出版狀態 | Published - 1 1月 2007 |

事件 | 31st International Symposium on Combustion - Heidelberg, Germany 持續時間: 5 8月 2006 → 11 8月 2006 |