DOI: 10.1016/j.atmosenv.2014.09.065
Scopus记录号: 2-s2.0-84907702838
论文题名: Atmospheric reactions between E,E-2,4-hexadienal and OH, NO3 radicals and Cl atoms
作者: Colmenar I ; , Martín P ; , Cabañas B ; , Salgado S ; , Martínez E
刊名: Atmospheric Environment
ISSN: 0168-2563
EISSN: 1573-515X
出版年: 2014
卷: 99 起始页码: 159
结束页码: 167
语种: 英语
英文关键词: Atmospheric oxidants
; E,E-2,4-Hexadienal
; Gas-phase reactions
; Rate coefficients
; Relative method
Scopus关键词: Atmospheric oxidants
; E,E-2,4-Hexadienal
; Gas-phase reactions
; Rate coefficients
; Relative method
; aldehyde
; chlorine
; e,e 2,4 hexadienal
; hydroxyl radical
; nitrate
; unclassified drug
; aldehyde
; atmospheric chemistry
; chlorine
; gas phase reaction
; hydroxide
; hydroxyl radical
; nitrate
; photolysis
; reaction rate
; Article
; atmosphere
; atmospheric pressure
; atmospheric reaction
; atom
; chemical reaction
; Fourier transform infrared photoacoustic spectroscopy
; mass fragmentography
; photolysis
; room temperature
; solid phase microextraction
; structure activity relation
Scopus学科分类: Environmental Science: Water Science and Technology
; Earth and Planetary Sciences: Earth-Surface Processes
; Environmental Science: Environmental Chemistry
英文摘要: E,E-2,4-Hexadienal is an α,β-unsaturated aldehyde whose presence in the atmosphere can arise from different sources. The rate coefficients for the reaction of this compound with Cl atoms, OH and NO3 radicals and for the photolysis process have been determined at atmospheric pressure and room temperature. A relative method has been developed with a Fourier Transform Infrared spectrometer (FTIR) or Solid Phase Micro Extraction fiber/chromatography-mass spectrometer (SPME/GC-MS) used as sampling/detection techniques. The absolute rate coefficients k (in units of cm3molecule-1s-1) obtained for Cl, OH and NO3 were (3.98±0.44)×10-10, (6.78±0.47)×10-11 and (1.34±0.56)×10-12, respectively. An estimation of the rate coefficient for the reaction of E,E-2,4-hexadienal with OH and NO3 radicals and Cl atoms has been carried out using correlations and SAR methods. The SAR substituent factor for the -C(O)H group, [G-(C(O)H)]=3.58×10-3, has been obtained. This group reactivity factor allows the rate coefficients to be estimated for the reaction of unsaturated aldehydes with NO3 radicals. The results of this study confirm that the reaction of unsaturated aldehydes with Cl atoms is very fast and that the structure of the compound has little influence, with the influence of the structure being more marked in the case of the OH radical reaction and relatively large for the NO3 reaction. The results are consistent with a mechanism in which the first stage is addition of an atom or radical to the double bond of E,E-2,4-hexadienal as the main reaction channel and, to a minor extent, the abstraction of aldehydic hydrogen. These are the first data reported for the atmospheric reactions of this compound and this study therefore contributes to the database of rate coefficients for atmospheric reactions. © 2014 Elsevier Ltd. Citation statistics:
资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/80505
Appears in Collections: 气候变化事实与影响
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作者单位: Departamento de Química Física, Facultad de Ciencias y Tecnologías Químicas, Universidad de Castilla La Mancha, Avda. Camilo José Cela S/N, Ciudad Real, Spain; Instituto de Combustión y Contaminación Atmosférica (ICCA), Universidad de Castilla La Mancha, Camino Moledores S/N, Ciudad Real, Spain
Recommended Citation:
Colmenar I,, Martín P,, Cabañas B,et al. Atmospheric reactions between E,E-2,4-hexadienal and OH, NO3 radicals and Cl atoms[J]. Atmospheric Environment,2014-01-01,99