Density functional theory study of the reaction paths of reactions of CH3C(O)O2 radicals with HO2 in the gas phase

A DFT study on the reactions between CH₃C(O)O₂ and HO₂ radicals has been carried out. It is suggested that both the triplet and singlet potential surfaces involve a complex mechanism with the formation of loosely bound intermediate complexes of reactants and products. The reaction prefers to occur on the triplet surface to produce peracetic acid (CH₃C(O)O₂H) and triplet O₂ molecule. The CH₃C(O)O₂H can further convert into CH₃C(O)O and HO radicals.     

过氧漂白影响因素的研究

报告了稳定剂、螯合剂和活化剂等添加剂以及过氧漂白的基本参数对漂白效果的影响 .通过实验证明 ,在过氧漂白中 ,稳定剂、漂白活化剂、螯合剂是必不可少的添加剂 .2 .5 %～ 5 %的硅酸钠、0 .2 5 %～ 1%的硫酸镁、1%～ 2 .5 %的柠檬酸、1.5 %～ 2 .5 %的 OOBS对于过氧化氢释放活性氧起到稳定或活化的作用 ,达到较好的漂白效果 .温度、时间、浓度可以互相补偿 .     

过氧铌酸催化下双氧水选择氧化环戊烯制备戊二醛

以氧化铌为原料制备了过氧铌酸、以乙醇为溶剂、双氧水为氧化剂的体系中，过氧铌酸作为催化剂能够高效的催化戊烯制备戊二醛。在优化的反应条件下，环戊烯的转化率达100％，戊二醛的得率高达72％。     

Density functional theory study of the reaction paths of reactions of CH3C(O)O2 radicals with HO2 in the gas phase

A DFT study on the reactions between CH₃C(O)O₂ and HO₂ radicals has been carried out. It is suggested that both the triplet and singlet potential surfaces involve a complex mechanism with the formation of loosely bound intermediate complexes of reactants and products. The reaction prefers to occur on the triplet surface to produce peracetic acid (CH₃C(O)O₂H) and triplet O₂ molecule. The CH₃C(O)O₂H can further convert into CH₃C(O)O and HO radicals.     

Density functional theory study of the reaction paths of reactions of CH_3C(O)O_2 radicals with HO_2 in the gas phase

Acetyl peroxyradicals play a major roleinthe at-mospheric degradation of organic compounds .In pol-luted atmospheres ,the reaction between CH3C(O)O2radical and NO2forms the well-known PAN(peroxy-acetyl nitrate , CH3C(O)OONO2) ,an i mportant or-ganic contributor to photochemical smog.Inless pol-luted atmospheres ,the reactions between CH3C(O)O2and HO2radicals become critical as NOxlevels maybe low[1 ,2]. Niki et al . were the first to examine thereactions of CH3C(O)O2with HO2radic…     

Kinetic characteristic of photooxidation of cypermethrin by organic peroxy radical

The kinetic characteristic of photolysis of cypermethrin (CPM) sensitized by acetophenone (AP) and the effect of probe substance 2,6-Di-tert-butyl-4-methylphenol and tetralin is studied in this report. It showed that the photolysis rate of CPM increases slightly with the increase of AP concentration; photolysis rate of CPM has no relationship with [CPM] itself; The more dipolar moment the solvent has, the more the interaction between radical and solvent has, and the slower the photolysis of CPM is. The addition of radical probe substance confirms that ROO·is more than RO·. The steady-state concentration of ROO·is about 10⁻⁸ mol·L⁻¹. Biography: Bi Gang (1967-), male, Ph. D., research direction: analytical chemistry     

亚硝酸过氧酯热分解反应的量子化学研究

用ＲＨＦ／ＡＭ１方法研究了亚硝酸过氧酯的热分解反应柚是。结果表明,该反应所循的路径是途径一个四元环过渡态,消去亚硝酸生成酮。     

超声辐射下环状过氧缩醛类化合物的合成研究

研究超声辐射下，三价乙酰丙酮锰与1，1-二芳基乙烯在氧气存在下的自由基环化反应，合成了环状过氧缩醛类化合物，反应在23℃下，4h完成，收率可达92％．并对产物结构进行了表征．研究证明超声波对此类反应具有明显的促进作用．与单纯机械搅拌方法相比，反应时间缩短8h．     

蜂胶的抗氧化作用研究——I.蜂胶对超氧阴离子和羟基自由基和抑制作用

以抑制非细胞体系产生的超氧阴离子和羟基自由基为方法，研究蜂胶的抗氧化活性。结果表明，蜂胶能有效地清除机体外产生的