气候变化领域集成服务门户(CCPortal): Investigations into the gas-phase photolysis and OH radical kinetics of nitrocatechols: implications of intramolecular interactions on their atmospheric behaviour

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DOI	10.5194/acp-22-2203-2022
	Investigations into the gas-phase photolysis and OH radical kinetics of nitrocatechols: implications of intramolecular interactions on their atmospheric behaviour
	Roman, Claudiu; Arsene, Cecilia; Bejan, Iustinian Gabriel; Olariu, Romeo Iulian
发表日期	2022
ISSN	1680-7316
EISSN	1680-7324
起始页码	2203
结束页码	2219
卷号	22 期号:4 页码:17
英文摘要	The Environmental Simulation Chamber made of Quartz from the University Alexandru Ioan Cuza (ESC-Q-UAIC), at Iasi, Romania, was used to investigate the gas-phase reaction rate coefficients for four nitrocatechols toward OH radicals under simulated atmospheric conditions. Employing relative rate techniques at a temperature of 298 +/- 2 K and a total air pressure of 1 atm, the obtained rate coefficients (in 10(-12) cm(3) s(-1)) were as follows: k(3NCAT) = (3.41 +/- 0.37) for 3-nitrocatechol and k(5M3NCAT) = (5.55 +/- 0.45) for 5-methyl-3-nitrocatechol at 365 nm, using CH3ONO photolysis as OH radicals source and dimethyl ether and cyclohexane as reference compounds, and k(4NCAT) = (1.27 +/- 0.19) for 4-nitrocatechol and k(4M5NCAT) = (0.92 +/- 0.14) for 4-methyl-5-nitrocatechol at 254 nm using H2O2 as OH radicals source and dimethyl ether and methanol as reference compounds. The photolysis rates in the actinic region, scaled to atmospheric relevant conditions by NO2 photolysis, were evaluated for 3-nitrocatechol and 5-methyl-3-nitrocatechol: J(3NCAT) = (3.06 +/- 0.16) x 10(-4) s(-1) and J(5M3NCAT) = (2.14 +/- 0.18) x 10(-4) s(-1), respectively. The photolysis rate constants at 254 nm were measured for 4-nitrocatechol and 4-methyl-5-nitrocatechol and the obtained values are J(4NCAT) = (6.7 +/- 0.1) x 10(-5) s(-1) and J(4M5NCAT) = (3.2 +/- 0.3) x 10(-5) s(-1). Considering the obtained results, our study suggests that photolysis may be the main degradation process for 3-nitrocatechol and 5-methyl-3-nitrocatechol in the atmosphere, with a photolytic lifetime in the atmosphere of up to 2 h. Results are discussed in terms of the reactivity of the four nitrocatechols under investigation toward OH-radical-initiated oxidation and their structural features. The rate coefficient values of the nitrocatechols are also compared with those estimated from the structure-activity relationship for monocyclic aromatic hydrocarbons and assessed in relation to their gas-phase IR spectra. Additional comparison with similar compounds is also presented, underlining the implications toward possible degradation pathways and atmospheric behaviour.
学科领域	Environmental Sciences; Meteorology & Atmospheric Sciences
语种	英语
WOS研究方向	Environmental Sciences & Ecology ; Meteorology & Atmospheric Sciences
WOS记录号	WOS:000760380300001
来源期刊	ATMOSPHERIC CHEMISTRY AND PHYSICS
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/273655
作者单位	Alexandru Ioan Cuza University; Alexandru Ioan Cuza University
推荐引用方式 GB/T 7714	Roman, Claudiu,Arsene, Cecilia,Bejan, Iustinian Gabriel,et al. Investigations into the gas-phase photolysis and OH radical kinetics of nitrocatechols: implications of intramolecular interactions on their atmospheric behaviour[J],2022,22(4):17.
APA	Roman, Claudiu,Arsene, Cecilia,Bejan, Iustinian Gabriel,&Olariu, Romeo Iulian.(2022).Investigations into the gas-phase photolysis and OH radical kinetics of nitrocatechols: implications of intramolecular interactions on their atmospheric behaviour.ATMOSPHERIC CHEMISTRY AND PHYSICS,22(4),17.
MLA	Roman, Claudiu,et al."Investigations into the gas-phase photolysis and OH radical kinetics of nitrocatechols: implications of intramolecular interactions on their atmospheric behaviour".ATMOSPHERIC CHEMISTRY AND PHYSICS 22.4(2022):17.