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首页> 外文期刊>Chemosphere >Photodegradation of fluazaindolizine in water under simulated sunlight irradiation: Identification of transformation products and elucidation of transformation mechanism
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Photodegradation of fluazaindolizine in water under simulated sunlight irradiation: Identification of transformation products and elucidation of transformation mechanism

机译：模拟阳光照射下氟氮嗪的光降解：转化产物的鉴定及转化机理的阐明

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The photodegradation of fluazaindolizine in water was investigated under simulated sunlight irradiation. The effects of solution pH, humic acids (HA), nitrates (NO3-) and Fe(III) ions on photolysis of fluazaindolizine were studied. The results indicated that pH did not significantly affect its photodegradation. At low concentration (up to 5 mg/L), HA slightly facilitated the photodegradation of fluazaindolizine, while at high concentration (10-20 mg/L), HA inhibited its photodegradation. The presence of NO3- (0-10 mg/L) and Fe(III) (0-5 mg/L) noticeably accelerated the photodegradation of fluazaindolizine. Moreover, eleven direct transformation products (TPs) were isolated and identified by liquid chromatography quadrupole time-of-flight mass spectrometry. Density functional theory (DFT) calculation was utilized to characterize molecular property of fluazaindolizine and predict the potentiality of the possible photodegradation reaction. Ultimately, a possible transformation mechanism was proposed based on the identified TPs, degradation profiles and DFT calculation. The predominant photoproduct came from ring opening of imidazole-ring and dechlorination. Other TPs resulted from a series of photochemical reactions involving hydroxyl substitution, ring-opening, cleavage, oxidation and decarboxylation. These results were important in elucidating environmental fate of fluazaindolizine in aquatic system and further environmental risk assessment. (C) 2018 Published by Elsevier Ltd.
机译：在模拟阳光照射下，研究了氟氮嗪在水中的光降解。研究了溶液的pH，腐殖酸（HA），硝酸盐（NO3-）和Fe（III）离子对氟氮嗪的光解的影响。结果表明，pH值不会显着影响其光降解。在低浓度（最高5 mg / L）下，HA稍微促进了fluazaindolizine的光降解，而在高浓度（10-20 mg / L）下，HA抑制了其光降解。 NO3-（0-10 mg / L）和Fe（III）（0-5 mg / L）的存在显着促进了fluazaindolizine的光降解。此外，通过液相色谱四极杆飞行时间质谱法分离并鉴定了11种直接转化产物（TPs）。利用密度泛函理论（DFT）计算来表征氟氮吲嗪的分子性质并预测可能的光降解反应的潜力。最终，基于确定的TP，降解曲线和DFT计算，提出了一种可能的转化机制。主要的光产物来自咪唑环的开环和脱氯作用。其他TPs是由一系列涉及羟基取代，开环，裂解，氧化和脱羧的光化学反应产生的。这些结果对于阐明氟氮嗪在水生系统中的环境命运以及进一步的环境风险评估具有重要意义。 （C）2018由Elsevier Ltd.发布

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