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1,2,3-三唑和吡唑的气相紫外吸收光谱及与OH的氧化动力学

Gas-phase UV absorption spectra and OH-oxidation kinetics of 1-1,2,3-triazole and pyrazole.

作者信息

Samir Brahim, Kalalian Carmen, Roth Estelle, Salghi Rachid, Chakir Abdelkhaleq

机构信息

Groupe de Spectrométrie Moléculaire et Atmosphérique GSMA, UMR CNRS 7331, Université de Reims Moulin de la Housse B.P. 1039 51687 Reims Cedex 2 France

Laboratory of Environmental Engineering and Biotechnology, ENSA, University Ibn Zohr PO Box 1136 80000 Agadir Morocco.

出版信息

RSC Adv. 2019 Aug 30;9(47):27361-27368. doi: 10.1039/c9ra04235k. eCollection 2019 Aug 29.

Abstract

In this work, we report the gas phase UV absorption spectra and the kinetics of the OH-oxidation of 1-1,2,3-triazole and pyrazole. UV spectra were determined between 200 and 250 nm, at 350 ± 2 K and at pressures between 0.09 and 0.3 Torr. The reported maximal UV absorption cross sections are (cm per molecule): = 2.04 × 10 and = 5.44 × 10. The very low absorption capacity of these compounds beyond 240 nm indicates that their atmospheric photodissociation is negligible. The OH-oxidation of these species was performed in an atmospheric simulation chamber coupled to an FTIR spectrometer and to a GC/MS over the temperature range 298-357 K and at atmospheric pressure. Experiments were conducted in relative mode using benzaldehyde, -2-hexenal and heptane as references. The obtained rate constants at 298 K were (×10 cm per molecule per s): (OH + 1-1,2,3-triazole) = 2.16 ± 0.41; (OH + pyrazole) = 2.94 ± 0.42. These results were compared to those available in the literature and discussed in terms of structure-reactivity and temperature dependency. Their tropospheric lifetimes with respect to reaction with OH radicals were then estimated.

摘要

在本研究中,我们报告了1,2,3 - 三唑和吡唑的气相紫外吸收光谱以及它们与OH自由基氧化反应的动力学。紫外光谱是在200至250纳米之间、350 ± 2 K以及0.09至0.3托的压力下测定的。所报告的最大紫外吸收截面为(每分子平方厘米): = 2.04 × 10 和 = 5.44 × 10。这些化合物在240纳米以上的吸收能力非常低,这表明它们在大气中的光解离可以忽略不计。这些物质与OH自由基的氧化反应是在一个与傅里叶变换红外光谱仪和气相色谱/质谱联用的大气模拟室中,在298 - 357 K的温度范围内和大气压下进行的。实验以相对模式进行,使用苯甲醛、反 - 2 - 己烯醛和庚烷作为参考。在298 K时获得的速率常数为(每分子每秒×10 立方厘米):(OH + 1,2,3 - 三唑) = 2.16 ± 0.41;(OH + 吡唑) = 2.94 ± 0.42。将这些结果与文献中的结果进行了比较,并从结构 - 反应性和温度依赖性方面进行了讨论。然后估算了它们相对于与OH自由基反应的对流层寿命。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b1f8/9070650/661b22abaada/c9ra04235k-f1.jpg

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