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

IF 1.5 4区 化学 Q4 CHEMISTRY, PHYSICAL
Mohamad Ghaleb Alossaily, Mirna Shamas, Abdelkhaleq Chakir, Estelle Roth
{"title":"Temperature-Dependent Kinetic Study of the Gas Phase Ozonolysis of Linalool, Nerol, and Citronellol","authors":"Mohamad Ghaleb Alossaily,&nbsp;Mirna Shamas,&nbsp;Abdelkhaleq Chakir,&nbsp;Estelle Roth","doi":"10.1002/kin.21776","DOIUrl":null,"url":null,"abstract":"<div>\n \n <p>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 (×10<sup>16</sup> cm<sup>3</sup> molecule<sup>−1</sup> s<sup>−1</sup>) 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 (cm<sup>3</sup> molecule<sup>−1</sup> s<sup>−1</sup>):\n<span></span><math>\n <semantics>\n <mtable>\n <mtr>\n <mtd>\n <mrow>\n <mspace></mspace>\n <msub>\n <mi>k</mi>\n <mrow>\n <mtext>linalool</mtext>\n <mo>+</mo>\n <msub>\n <mi>O</mi>\n <mn>3</mn>\n </msub>\n </mrow>\n </msub>\n <mo>=</mo>\n <mrow>\n <mo>(</mo>\n <mn>3.52</mn>\n <mo>±</mo>\n <mn>1.80</mn>\n <mo>)</mo>\n </mrow>\n <mo>×</mo>\n <mrow></mrow>\n <msup>\n <mn>10</mn>\n <mrow>\n <mo>−</mo>\n <mn>13</mn>\n </mrow>\n </msup>\n <mi>exp</mi>\n <mrow>\n <mo>(</mo>\n <mo>−</mo>\n <mrow>\n <mo>(</mo>\n <mn>2115</mn>\n <mo>±</mo>\n <mn>163</mn>\n <mo>)</mo>\n </mrow>\n <mo>/</mo>\n <mi>T</mi>\n <mo>)</mo>\n </mrow>\n </mrow>\n </mtd>\n </mtr>\n <mtr>\n <mtd>\n <mrow>\n <mspace></mspace>\n <msub>\n <mi>k</mi>\n <mrow>\n <mtext>nerol</mtext>\n <mo>+</mo>\n <msub>\n <mi>O</mi>\n <mn>3</mn>\n </msub>\n </mrow>\n </msub>\n <mo>=</mo>\n <mrow>\n <mo>(</mo>\n <mn>1.74</mn>\n <mo>±</mo>\n <mn>1.50</mn>\n <mo>)</mo>\n </mrow>\n <mo>×</mo>\n <mrow></mrow>\n <msup>\n <mn>10</mn>\n <mrow>\n <mo>−</mo>\n <mn>12</mn>\n </mrow>\n </msup>\n <mi>exp</mi>\n <mrow>\n <mo>(</mo>\n <mo>−</mo>\n <mrow>\n <mo>(</mo>\n <mn>2260</mn>\n <mo>±</mo>\n <mn>268</mn>\n <mo>)</mo>\n </mrow>\n <mo>/</mo>\n <mi>T</mi>\n <mo>)</mo>\n </mrow>\n </mrow>\n </mtd>\n </mtr>\n <mtr>\n <mtd>\n <mrow>\n <mspace></mspace>\n <msub>\n <mi>k</mi>\n <mrow>\n <mtext>citronellol</mtext>\n <mo>+</mo>\n <msub>\n <mi>O</mi>\n <mn>3</mn>\n </msub>\n </mrow>\n </msub>\n <mo>=</mo>\n <mrow>\n <mo>(</mo>\n <mn>1.63</mn>\n <mo>±</mo>\n <mn>1.00</mn>\n <mo>)</mo>\n </mrow>\n <mo>×</mo>\n <mrow></mrow>\n <msup>\n <mn>10</mn>\n <mrow>\n <mo>−</mo>\n <mn>13</mn>\n </mrow>\n </msup>\n <mi>exp</mi>\n <mrow>\n <mo>(</mo>\n <mo>−</mo>\n <mrow>\n <mo>(</mo>\n <mn>1968</mn>\n <mo>±</mo>\n <mn>190</mn>\n <mo>)</mo>\n </mrow>\n <mo>/</mo>\n <mi>T</mi>\n <mo>)</mo>\n </mrow>\n </mrow>\n </mtd>\n </mtr>\n </mtable>\n <annotation>$ \\def\\eqcellsep{&amp;}\\begin{array}{c} \\hspace*{9pt} {k}_{\\text{linalool}+{\\mathrm{O}}_{3}} =(3.52\\pm 1.80)\\ensuremath{\\times{}}{10}^{-13}\\exp (-(2115\\pm 163)/\\mathrm{T})\\\\ \\hspace*{15pt} {k}_{\\text{nerol}+{\\mathrm{O}}_{3}}=(1.74\\pm 1.50)\\ensuremath{\\times{}}{10}^{-12}\\exp (-(2260\\pm 268)/\\mathrm{T})\\\\ \\hspace*{2pt}{k}_{\\text{citronellol}+{\\mathrm{O}}_{3}} =(1.63\\pm 1.00)\\ensuremath{\\times{}}{10}^{-13}\\exp (-(1968\\pm 190)/\\mathrm{T}) \\vspace*{3pt}\\end{array} $</annotation>\n </semantics></math></p>\n <p>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.</p>\n </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"57 5","pages":"342-350"},"PeriodicalIF":1.5000,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Chemical Kinetics","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/kin.21776","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

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): k linalool + O 3 = ( 3.52 ± 1.80 ) × 10 13 exp ( ( 2115 ± 163 ) / T ) k nerol + O 3 = ( 1.74 ± 1.50 ) × 10 12 exp ( ( 2260 ± 268 ) / T ) k citronellol + O 3 = ( 1.63 ± 1.00 ) × 10 13 exp ( ( 1968 ± 190 ) / T ) $ \def\eqcellsep{&}\begin{array}{c} \hspace*{9pt} {k}_{\text{linalool}+{\mathrm{O}}_{3}} =(3.52\pm 1.80)\ensuremath{\times{}}{10}^{-13}\exp (-(2115\pm 163)/\mathrm{T})\\ \hspace*{15pt} {k}_{\text{nerol}+{\mathrm{O}}_{3}}=(1.74\pm 1.50)\ensuremath{\times{}}{10}^{-12}\exp (-(2260\pm 268)/\mathrm{T})\\ \hspace*{2pt}{k}_{\text{citronellol}+{\mathrm{O}}_{3}} =(1.63\pm 1.00)\ensuremath{\times{}}{10}^{-13}\exp (-(1968\pm 190)/\mathrm{T}) \vspace*{3pt}\end{array} $

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.

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{&amp;}\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。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
CiteScore
3.30
自引率
6.70%
发文量
74
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.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信