Temperature-Dependent Kinetic Study of the Gas Phase Ozonolysis of Linalool, Nerol, and Citronellol

IF 1.6 4区化学 Q4 CHEMISTRY, PHYSICAL International Journal of Chemical Kinetics Pub Date : 2025-01-25 DOI:10.1002/kin.21776

Mohamad Ghaleb Alossaily, Mirna Shamas, Abdelkhaleq Chakir, Estelle Roth

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Abstract

The gas phase reactions of the ozonolysis of three monoterpene alcohols: linalool, nerol, and citronellol, were investigated using a rigid atmospheric simulation chamber coupled to a proton transfer reaction-mass spectrometer (PTR-ToF-MS) to monitor the concentrations of the investigated compounds. Reaction rate constants were determined over the temperature range of 298–353 K at atmospheric pressure. Reaction rate constants (×10¹⁶ cm³ molecule⁻¹ s⁻¹) at 298 K are 3.12 ± 0.30 for linalool, 8.89 ± 0.90 for nerol, and 2.11 ± 0.10 for citronellol. The following Arrhenius expressions were established (cm³ molecule⁻¹ s⁻¹): $\begin{matrix} k_{linalool + O_{3}} = (3.52 \pm 1.80) \times 10^{- 13} \exp (- (2115 \pm 163) / T) \\ k_{nerol + O_{3}} = (1.74 \pm 1.50) \times 10^{- 12} \exp (- (2260 \pm 268) / T) \\ k_{citronellol + O_{3}} = (1.63 \pm 1.00) \times 10^{- 13} \exp (- (1968 \pm 190) / T) \end{matrix}$

The obtained rate constants are presented and compared to those found in the literature at room temperature, as well as to homologous alkenes. Based on the obtained rate constants, the tropospheric lifetimes of the studied compounds due to their elimination by ozonolysis were estimated to be about 1 hour.

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气相臭氧分解芳樟醇、橙花醇和香茅醇的温度依赖性动力学研究

采用刚性大气模拟室与质子转移反应-质谱联用仪（PTR-ToF-MS）监测所研究化合物的浓度，研究了臭氧分解三种单萜醇：芳樟醇、樟醇和香茅醇的气相反应。在298 ~ 353 K的常压温度范围内测定了反应速率常数。298 K下，芳樟醇的反应速率常数（×1016 cm3分子−1 s−1）为3.12±0.30，橙花醇为8.89±0.90，香茅醇为2.11±0.10。建立了如下Arrhenius表达式（cm3分子−1 s−1）：k芳樟醇+ O 3=（3.52±1.80）× 10−13exp（−(2115±163)/ T）k + 0 3=（1.74±1.50）× 10−12exp（−(2260±268)/ T）k香茅醛+ O 3=（1.63±1） 10 × 10−13 exp（−）（1968±190）/ T) $ \def\eqcellsep{&}\begin{array}{c} \hspace*{9pt} {k}_{\text{linalool}+{\mathrm{O}}_{3}} =（3.52\pm）1) ensuremath{喝时报{},{10}^ {-13 exp(-(2115喝pm 163) / \ \ \ \ hspace mathrm {T) * {15pt {k " _歌词{nerol +——喝mathrm {O《{3,= (1.74 pm 1.50)喝ensuremath{\时报{}{10 ^ {-12 exp(-(2260喝pm找到268)/ \ \ \ \ hspace mathrm {T) * {2pt {k " _歌词{citronellol +——喝mathrm {O《{3,= (1.63 pm一点)喝ensuremath{\时报{}{10 ^ {-13 exp(-(1968年喝pm 190) / mathrm {T)喝vspace * {3pt \结局——天线阵。 } $ The obtained建议constants是presented和compared to保全可以找到《literature厅temperature分校还有同源烯烃。根据获得的速率常数，研究化合物由于臭氧溶解而被消除的对流层寿命估计约为1小时。

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来源期刊

International Journal of Chemical Kinetics 化学-物理化学

CiteScore

3.30

自引率

6.70%

发文量

审稿时长

3 months

期刊介绍： As the leading archival journal devoted exclusively to chemical kinetics, the International Journal of Chemical Kinetics publishes original research in gas phase, condensed phase, and polymer reaction kinetics, as well as biochemical and surface kinetics. The Journal seeks to be the primary archive for careful experimental measurements of reaction kinetics, in both simple and complex systems. The Journal also presents new developments in applied theoretical kinetics and publishes large kinetic models, and the algorithms and estimates used in these models. These include methods for handling the large reaction networks important in biochemistry, catalysis, and free radical chemistry. In addition, the Journal explores such topics as the quantitative relationships between molecular structure and chemical reactivity, organic/inorganic chemistry and reaction mechanisms, and the reactive chemistry at interfaces.