Shock-Tube Studies on the Reactions of CF2(X1A1) with O(3P) and H Atoms
Shock-Tube Studies on the Reactions of CF2(X1A1) with O(3P) and H Atoms
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CF2(X1A1)与O(3P)和H原子反应的激波管研究
DOI：
10.1021/jp991652g
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发表时间：
1999
影响因子：
2.9
通讯作者：
T. Inomata
中科院分区：
文献类型：
--
作者：
Yasuyuki Yamamori;Kazuo Takahashi;T. Inomata
用激波管/原子共振吸收光谱技术研究了CF2（X1 A1）自由基与O（3 P）和H原子的反应，温度范围为2000 - 2430和1450 - 1860 K，总密度范围为6.1 × 1018 - 1.2 × 1019分子cm-3。一氧化二氮和碘乙烷分别被用作O（3 P）和H原子的前体。二氟氯甲烷热分解产生电子基态CF2（X1 A1）自由基。从O和H原子浓度的衰变曲线得到了反应CF 2（X1 A1）+ O（3 P）和CF 2（X1 A1）+ H的速率系数为k（CF 2 +O）= 10-10.39±0.07和k（CF 2 +H）= 10-10.18±0.21 exp[-1（19.0 ± 6.7）kJ mol-1/RT] cm 3 molecule-1 s-1（两个标准差水平的误差限）。在目前的实验条件下，速率系数没有任何压力依赖性。采用G2水平从头计算方法研究了CF2（X1 A1）+ O（3 P）和C（X1 A1）+ O（3 P）的产物通道。
The reactions of CF2(X1A1) radicals with O(3P) and H atoms have been studied by using a shock tube/atomic resonance absorption spectroscopy technique over the temperature ranges 2000−2430 and 1450−1860 K and the total density range 6.1 × 1018 to 1.2 × 1019 molecules cm-3. Nitrous oxide and ethyl iodide were used as precursors of O(3P) and H atoms, respectively. Electronically ground state CF2(X1A1) radicals were produced through the thermal decomposition of chlorodifluoromethane. The rate coefficients for the reactions CF2(X1A1) + O(3P) and CF2(X1A1) + H were obtained from the decay profiles of O and H atom concentrations as k(CF2+O) = 10-10.39±0.07 and k(CF2+H) = 10-10.18±0.21 exp[−(19.0 ± 6.7) kJ mol-1/RT] cm3 molecule-1 s-1 (error limits at the two standard deviation level). Neither rate coefficient had any pressure dependence under the present experimental conditions. The G2-level ab initio molecular orbital calculation was also performed to examine the product channels for the CF2(X1A1) + O(3P) and C...