共查询到20条相似文献,搜索用时 15 毫秒
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Natalie G. K. Wong Maria Sereli Cate S. Anstter Caroline E. H. Dessent 《Molecules (Basel, Switzerland)》2022,27(24)
Octyl methoxycinnamate (OMC) is a common UVA and UVB filter molecule that is widely used in commercial sunscreens. Here, we used gas-phase laser photodissociation spectroscopy to characterise the intrinsic photostability and photodegradation products of OMC by studying the system in its protonated form, i.e., [OMC·H]+. The major photofragments observed were m/z 179, 161, and 133, corresponding to fragmentation on either side of the ether oxygen of the ester group (m/z 179 and 161) or the C–C bond adjacent to the ester carbonyl group. Additional measurements were obtained using higher-energy collisional dissociation mass spectrometry (HCD-MS) to identify fragments that resulted from the breakdown of the vibrationally hot electronic ground state. We found that the m/z 179 and 161 ions were the main fragments produced by this route. Notably, the m/z 133 ion was not observed through HCD-MS, revealing that this product ion is only produced through a photochemical route. Our results demonstrate that UV photoexcitation of OMC is able to access a dissociative excited-state surface that uniquely leads to the rupture of the C–C bond adjacent to the key ester carbonyl group. 相似文献
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The iodides can be oxidated to iodine by O_2 in air because of their lower redox potential. In an acidic solution, this reaction can be accelerated by ultraviolet light. Because the iodine yielded from potassium iodide by light irradiating solution can react with other oxidizer components, the iodine is constantly consumed. When it arrives the terminal points of the reaction, the iodine appears. According to the reaction time of the iodine appearing the quantities of the components are determined. And the terminal points can be pointed out by the blue of the iodine-starch or potentiometric 相似文献
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用B3LYP, MP2和CASSCF方法, 采用cc-pVDZ和6-31++G**基组, 研究了硫代乙酰胺在基态和最低三态上消除硫化氢以及其它光解离反应, 并考虑了单个溶剂分子参与反应对质子迁移反应的影响, 得到了消除硫化氢反应的反应机理, 计算结果可以很好地解释实验结果. 进而用CASSCF方法计算了第一激发单态上的各驻点, 以及各交叉点. 计算结果表明, 在S1和T1态上发生除分子内转动以外的化学反应的可能性比较小, 当分子被激发到S2态上时, 将通过S2/S1交叉点到S1态, 在S1态上的分子有两条途径去活化, 通过S1/S0交叉点到热基态, 通过S1/T1交叉点系间窜越到T1态. 因而得出CH3CSNH2发生光解离反应的可能性不大. 基于此, 可将硫代酰胺结构引入蛋白或多肽中, 有望在不破坏分子整体结构的情况下对其进行光化学研究. 相似文献
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J.-F. Rontani P. J.-P. Giral 《International journal of environmental analytical chemistry》2013,93(1-4):61-68
Abstract A crude oil hydrocarbon fraction was photooxidized as a surface film on seawater under simulated environmental conditions. After irradiation, gas chromatography and gas chromatography/mass spectrometry analyses allowed to demonstrate the presence of relatively high quantities of compounds deriving from the photosensitized oxidation of n-alkanes, pristane and phytane, being among the non-acidic photoproducts of this fraction. The results suggest that the photochemical degradation of alkanes should be considered in studies of the fate of petroleum crudes in the marine environment. 相似文献
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A. Khodairy 《中国化学会会志》2007,54(1):93-102
Condensation of 1‐phenylpyrazolidine‐3,5‐dione 1 with 3‐formylchromone afforded 4‐(chromenylmethylene)pyrazolidinedione 2 , which was reacted with hydrazine or hydroxylamine in different molar ratios and conditions to give the corresponding pyrazole and isoxazole derivatives 3 ‐ 8 , respectively. Compound 2 was subject to react with ammonia, N,S‐ or S,S‐acetals, mercaptoacetic acid, cyanoacetamide or cyanothioacetamide to give the corresponding pyridine, dithiine, thiazine and thiophene, 9 ‐ 14 , respectively. The reaction of compound 2 with thiourea, guanidine, cystamine, o‐aminothiophenol, ethylenediamine, o‐phenelenediamine or barbituric acid afforded the corresponding thiazine, pyrimidine, thiazepine, diazepine, and pyran derivatives 17 ‐ 23 , respectively. The study of the reaction of compound 2 with nucleophiles via chromene ring opening was investigated. 相似文献
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取代环己硅烷类(苯基乙烷和联苯基乙烷系列)液晶化合物分子的基本性质的量子化学研究 总被引:1,自引:0,他引:1
取代环己硅烷类液晶化合物是以专利形式报道的一类新型液晶材料.它们具有能降低液晶的粘度和双折射率,使液晶显示器件的响应速度增快,视角变宽等优良性能,可满足在低温下正常工作的要求,具有良好的应用前景[1].关于该类化合物的分子结构和基本性质的实验和理论研究的报道并不多见.因此,开发优良的分子轨道计算方法研究液晶化合物的结构和性质的关系已成为理论化学家们关注的课题,其中,AM1[2]法和PM3[3]法是目前被较多地用于这类研究的半经验分子轨道近似计算方法. 相似文献
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XU Liang zhong ** ZHANG Shu sheng LI Hui jing JIAO Kui *** Institute of Chemical Molecular Technology Qingdao University of Science Technology Qingdao P. R. China 《高等学校化学研究》2002,18(3):284-286
IntroductionTriazole compounds have attracted muchattention having been used as high efficient andwide spectrum fungicide and plant growthregulator[1— 4] .The triazole compounds containtintg1 ,3- dioxolane have the remarkable prevention ofthe control over plant diseases[5] .Propiconazol anddifenoconazole are two important representatives.But the necessary intermediate for synthesizingpropiconazol depends on imports,which leads tothe cost of production and application too high.According to th… 相似文献
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Anne Piram René Faure Henry Chermette Claire Bordes Bernard Herbreteau 《International journal of environmental analytical chemistry》2013,93(1):96-109
The UV irradiation of propranolol, one of the beta-blockers currently used in cardiac medicine, was studied. During irradiation, the samples were analysed by LC/MS/MS, using a Waters Symmetry C18 (3.5?µm 150?×?2.1?mm) column. The main photoproducts were identified from mono-, di- and tri-hydroxylation of the propranolol naphthalenic skeleton. Hydroxyl group positions were predicted by means of theoretical calculations. Partial charge calculations of the propranolol atoms predicted the formation of four mono-hydroxylated compounds, two of them being the most probable. From these two compounds, three di-hydroxylated compounds were predicted. Then the calculations from the two most probable di-hydroxylated compounds were used to propose three tri-hydroxylated propranolol compounds. It was found that the same hydroxylated photoproducts are formed in pure water and in treatment plant waste water. 相似文献
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The addition of methanol to C60 in the presence of acetylglycine (AG) was carried out under irradiation.The novel compound,1,4-dimethoxyl-l,4-dihydrofullerene (1),was isolated and characterized by FTIR,UV-vis,1H and 13C NMR,and FDMS. 相似文献
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吲哚类新主体化合物的固相光化学合成及包结性能研究 总被引:1,自引:0,他引:1
对苯二甲醛、对甲醛基苯甲酸甲酯和邻硝基苯甲苯醛与吲哚的固相光反应得到5种新产物,其中4种产物具有很好的包结能力。产物1、2、3和4与丙酮、乙酸乙酯、四氯化碳、氯仿分别形成1:1、1:2或2:1包结络合物1a,2a,3a,4a和4b。并对包结络合物1a,2a和3a进行了X射线衍射结构解析。 相似文献
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对位取代苯磺酸钠在溶液及界面的光反应研究 总被引:1,自引:0,他引:1
用自旋捕捉-ESR方法研究了对位取代苯磺酸在水溶液中光化学行为,结果表明pH的改变及半导体胶体的存在都能影响其光解过程,使产生的中间体发生变化,发生光解过程中产生的中间体之一是硫中心自由基SO^-3,在一定的pH范围还有C中心自由基和氢自由基生成,在较低pH范围,初始反应速率与pH值呈指数关系。 相似文献
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1-苯基-3-甲基-5-吡唑啉酮与二羰基化合物的固相反应研究 总被引:1,自引:0,他引:1
报道了苯偶酰及其衍生物、对二甲氨基苯偶姻、邻苯二甲酰亚胺与1-苯基-3-甲基-5-吡唑啉酮的固相热反应研究;这个热反应以较高的选择性生成1:1缩合产物的一种异构体,通过IR、1HNMR、MS和元素分析确定了新产物的结构,并通过X射线衍射分析确定了其中一个产物的构型。 相似文献
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R. A. Cherkasov V. I. Galkin A. B. Khabibullina Khalil Al Kurdi 《Phosphorus, sulfur, and silicon and the related elements》2013,188(1-4):61-64
Abstract The kinetics and the mechanism of the Pudovik reaction for the series of α, β-unsaturated carbonyl compounds have been studied. The factors which determine the addition locoselectivity and the reactivity of the hydrophosphoryl and unsaturated compounds in this process are established. The qualitative and quantitative relationships obtained allow to predict the reaction rate and its direction depending on the reagents structure and also on the nature of catalyst and solvent used. 相似文献