Hurley M D, Wallington T J, Bjarrum M, Javadi M S, Nielsen O J
Systems Analytics and Environmental Sciences Department, Ford Motor Company, Mail Drop RIC-2122, Dearborn, Michigan 48121-2053, USA.
J Phys Chem A. 2008 Sep 4;112(35):8053-60. doi: 10.1021/jp803637c. Epub 2008 Aug 12.
Smog chamber/FTIR techniques were used to study the atmospheric chemistry of 3-pentanol and determine rate constants of k(Cl+3-pentanol) = (2.03 +/- 0.23) x 10 (-10) and k(OH+3-pentanol) = (1.32 +/- 0.15) x 10 (-11) cm (3) molecule (-1) s (-1) in 700 Torr of N 2/O 2 diluent at 296 +/- 2 K. The primary products of the Cl atom initiated oxidation of 3-pentanol in the absence of NO were (with molar yields) 3-pentanone (26 +/- 2%), propionaldehyde (12 +/- 2%), acetaldehyde (13 +/- 2%) and formaldehyde (2 +/- 1%). The primary products of the Cl atom initiated oxidation of 3-pentanol in the presence of NO were (with molar yields) 3-pentanone (51 +/- 4%), propionaldehyde (39 +/- 2%), acetaldehyde (44 +/- 4%) and formaldehyde (4 +/- 1%). The primary products of the OH radical initiated oxidation of 3-pentanol in the presence of NO were (with molar yields) 3-pentanone (58 +/- 3%), propionaldehyde (28 +/- 2%), and acetaldehyde (37 +/- 2%). In all cases the product yields were independent of oxygen concentration over the partial pressure range 10-700 Torr. The reactions of Cl atoms and OH radicals with 3-pentanol proceed 26 +/- 2 and 58 +/- 3%, respectively, via attack on the 3-position to give an alpha-hydroxyalkyl radical, which reacts with O 2 to give 3-pentanone. The results are discussed with respect to the literature data and atmospheric chemistry of 3-pentanol.
利用烟雾箱/傅里叶变换红外光谱技术研究了3-戊醇的大气化学性质，并测定了在296±2 K、700 Torr的N₂/O₂稀释剂中k(Cl + 3-戊醇) = (2.03 ± 0.23)×10⁻¹⁰和k(OH + 3-戊醇) = (1.32 ± 0.15)×10⁻¹¹ cm³·分子⁻¹·s⁻¹的速率常数。在不存在NO的情况下，Cl原子引发的3-戊醇氧化的主要产物（摩尔产率）为3-戊酮(26 ± 2%)、丙醛(12 ± 2%)、乙醛(13 ± 2%)和甲醛(2 ± 1%)。在存在NO的情况下，Cl原子引发的3-戊醇氧化的主要产物（摩尔产率）为3-戊酮(51 ± 4%)、丙醛(39 ± 2%)、乙醛(44 ± 4%)和甲醛(4 ± 1%)。在存在NO的情况下，OH自由基引发的3-戊醇氧化的主要产物（摩尔产率）为3-戊酮(58 ± 3%)、丙醛(28 ± 2%)和乙醛(37 ± 2%)。在所有情况下，产物产率在10 - 700 Torr的分压范围内与氧气浓度无关。Cl原子和OH自由基与3-戊醇的反应分别有26 ± 2%和58 ± 3%通过进攻3-位生成α-羟烷基自由基，该自由基与O₂反应生成3-戊酮。结合文献数据和3-戊醇的大气化学性质对结果进行了讨论。
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