n-CH═CH(CH) CN（x = 0 - 4）的大气化学：动力学与机制
Atmospheric Chemistry of n-CH═CH(CH) CN ( x = 0-4): Kinetics and Mechanisms.
作者信息
Andersen Simone Thirstrup, Hass Sofie Askjær, Frederickson Louise Bøge, Nielsen Ole John
机构信息
Copenhagen Center for Atmospheric Research, Department of Chemistry , University of Copenhagen , Universitetsparken 5 , DK-2100 Copenhagen Ø , Denmark.
出版信息
J Phys Chem A. 2018 Jul 19;122(28):5983-5992. doi: 10.1021/acs.jpca.8b04547. Epub 2018 Jul 6.
Smog chamber/Fourier transform infrared (FTIR) techniques were used to measure the kinetics of the reaction of n-CH═CH(CH) CN ( x = 0-4) with Cl atoms, OH radicals, and O: k(CH═CHCN + Cl) = (1.03 ± 0.13) × 10, k(CH═CHCHCN + Cl) = (2.02 ± 0.35) × 10, k(CH═CH(CH)CN + Cl) = (2.75 ± 0.45) × 10, k(CH═CHCN + OH) = (4.21 ± 0.95) × 10, k(CH═CHCHCN + OH) = (1.55 ± 0.34) × 10, k(CH═CH(CH)CN + OH) = (2.98 ± 0.64) × 10, k(CH═CH(CH)CN + OH) = (3.34 ± 0.64) × 10, k(CH═CH(CH)CN + OH) = (3.61 ± 0.85) × 10, k(CH═CHCN + O) = (2.55 ± 0.28) × 10, k(CH═CHCHCN + O) = (1.17 ± 0.24) × 10, k(CH═CH(CH)CN + O) = (3.35 ± 0.69) × 10, k(CH═CH(CH)CN + O) = (4.07 ± 0.82) × 10, and k(CH═CH(CH)CN + O) = (7.13 ± 1.49) × 10 cm molecule s at a total pressure of 700 Torr of air or N diluents at 296 ± 2 K. CHClC(O)CN, HC(O)CN, HC(O)Cl, HCN, NCC(O)OONO, and ClC(O)OONO were identified as products from the Cl initiated oxidation of CH═CHCN. The product spectra were compared to experimental and theoretically calculated IR spectra. No products could be determined from the oxidation of n-CH═CH(CH) CN ( x = 1-4). With the determined OH rate constants, the atmospheric lifetimes for n-CH═CH(CH) CN ( x = 0-4) were estimated to be 66, 18, 9.3, 8.3, and 7.7 h, respectively. It was found that these unsaturated nitriles have no significant atmospheric environmental impact.
使用烟雾箱/傅里叶变换红外（FTIR）技术测量了正 - CH═CH(CH) CN（x = 0 - 4）与氯原子、羟基自由基和氧的反应动力学：k(CH═CHCN + Cl) = (1.03 ± 0.13) × 10，k(CH═CHCHCN + Cl) = (2.02 ± 0.35) × 10，k(CH═CH(CH)CN + Cl) = (2.75 ± 0.45) × 10，k(CH═CHCN + OH) = (4.21 ± 0.95) × 10，k(CH═CHCHCN + OH) = (1.55 ± 0.34) × 10，k(CH═CH(CH)CN + OH) = (2.98 ± 0.64) × 10，k(CH═CH(CH)CN + OH) = (3.34 ± 0.64) × 10，k(CH═CH(CH)CN + OH) = (3.61 ± 0.85) × 10，k(CH═CHCN + O) = (2.55 ± 0.28) × 10，k(CH═CHCHCN + O) = (1.17 ± 0.24) × 10，k(CH═CH(CH)CN + O) = (3.35 ± 0.69) × 10，k(CH═CH(CH)CN + O) = (4.07 ± 0.82) × 10，以及k(CH═CH(CH)CN + O) = (7.13 ± 1.49) × 10 cm³·分子⁻¹·s⁻¹，反应总压力为700 Torr的空气或氮气稀释剂，温度为296 ± 2 K。CHClC(O)CN、HC(O)CN、HC(O)Cl、HCN、NCC(O)OONO和ClC(O)OONO被鉴定为CH═CHCN氯引发氧化的产物。将产物光谱与实验和理论计算的红外光谱进行了比较。无法确定正 - CH═CH(CH) CN（x = 1 - 4）氧化的产物。根据测定的羟基反应速率常数，估计正 - CH═CH(CH) CN（x = 0 - 4）的大气寿命分别为66、18、9.3、8.3和7.7小时。发现这些不饱和腈对大气环境没有显著影响。
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