Department of Chemistry, University of Missouri, Columbia, Missouri 65211, United States.
J Phys Chem A. 2023 Jun 22;127(24):5202-5208. doi: 10.1021/acs.jpca.3c02703. Epub 2023 Jun 11.
We present a crossed-beam imaging study of the reactions of OH radicals with 1- and 2-propanol at a collision energy of 8 kcal mol using 157 nm probe of the radical product. Our detection is selective for the α-H and β-H abstraction in the 1-propanol case and for the α-H abstraction only in the 2-propanol case. The results show direct dynamics. A sharply peaked backscattered angular distribution is seen for the 2-propanol system and broader backward-sideways scattering for 1-propanol consistent with the different abstraction sites. The translational energy distributions peak at ∼35% of the collision energy, far from the heavy-light-heavy kinematic propensity. As this is ∼10% of the available energy, substantial vibrational excitation in the water product is inferred. The results are discussed in relation to analogous OH + butane and O(P) + propanol reactions.
我们呈现了一项交叉光束成像研究,在 8 kcal/mol 的碰撞能下,使用 157nm 的自由基产物探针,研究了 OH 自由基与 1-丙醇和 2-丙醇的反应。在 1-丙醇的情况下,我们的检测对 α-H 和 β-H 抽取具有选择性,而在 2-丙醇的情况下则仅对 α-H 抽取具有选择性。结果表明这是直接动力学。对于 2-丙醇体系,我们观察到一个尖锐的背散射角度分布,而对于 1-丙醇,则观察到更宽的向后侧向散射,这与不同的抽取位置一致。平移能分布在约 35%的碰撞能处达到峰值,远非重轻重的运动学倾向。由于这大约是可用能量的 10%,因此推断水产物中有大量的振动激发。我们将结果与类似的 OH + 丁烷和 O(P) + 丙醇反应进行了讨论。