典型文献
Spectroscopic characterization and photochemistry of the Criegee intermediate CF3C(H)OO
文献摘要：
Criegee intermediates(CIs),also known as carbonyl oxide,are reactive intermediates that play an important role in the atmospheric chemistry.Investigation on the structures and re-activity of CIs is of fundamental importance in understanding the underlying mechanism of their atmospheric reactions.In sharp contrast to the intensively studied parent molecule(CH2OO)and the alkyl-substituted derivatives,the knowledge about the fluorinated ana-logue CF3C(H)OO is scarce.By carefully heating the triplet carbene CF3CH in an O2-doped Ar-matrix to 35 K,the elusive carbonyl oxide CF3C(H)OO in syn-and anti-conformations has been generated and characterized with infrared(IR)and ultraviolet-visible(UV-vis)spec-troscopy.The spectroscopic identification is supported by 18O-labeling experiments and quantum chemical calculations at the B3LYP/6-311++G(3df,3pd)and MP2/6-311++G(2d,2p)levels.Upon the long-wavelength irradiation(λ＞680 nm),both conformers of CF3C(H)OO decompose to give trifluoroacetaldehyde CF3C(H)O and simultaneously rearrange to the iso-meric dioxirane,cyclic-CF3CH(OO),which undergoes isomerization to the lowest-energy car-boxylic acid CF3C(O)OH upon UV-light excitation at 365 nm.The O2-oxidation of CF3CH via the intermediacy of CF3C(H)OO and cyclic-CF3CH(OO)might provide new insight into the mechanism for the degradation of hydro-chlorofluorocarbon CF3CHCl2(HCFC-123)in the atmosphere.
文献关键词：
中图分类号：
作者姓名：
Lina Wang;Zhuang Wu;Bo Lu;Xiaoqing Zeng
作者机构：
Department of Chemistry,Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials,Fudan University,Shanghai 200433,China
文献出处：
引用格式：
[1]Lina Wang;Zhuang Wu;Bo Lu;Xiaoqing Zeng-.Spectroscopic characterization and photochemistry of the Criegee intermediate CF3C(H)OO)[J].环境科学学报（英文版）,2022(04):160-169
A类：
Criegee,CF3C,CH2OO,CF3CH,trifluoroacetaldehyde,dioxirane,intermediacy,chlorofluorocarbon,CF3CHCl2
B类：
Spectroscopic,characterization,photochemistry,intermediates,CIs,also,known,carbonyl,oxide,reactive,that,play,important,role,atmospheric,Investigation,structures,activity,fundamental,importance,understanding,underlying,mechanism,their,reactions,sharp,contrast,intensively,studied,parent,molecule,alkyl,substituted,derivatives,knowledge,about,fluorinated,ana,logue,scarce,By,carefully,heating,triplet,carbene,O2,doped,Ar,matrix,elusive,syn,anti,conformations,has,been,generated,characterized,infrared,ultraviolet,visible,UV,troscopy,spectroscopic,identification,supported,by,18O,labeling,experiments,quantum,chemical,calculations,B3LYP,311++G,3df,3pd,MP2,2d,2p,levels,Upon,long,wavelength,irradiation,both,conformers,decompose,give,simultaneously,rearrange,meric,cyclic,which,undergoes,isomerization,lowest,energy,boxylic,acid,upon,light,excitation,oxidation,via,might,provide,new,insight,into,degradation,hydro,HCFC,atmosphere
AB值：
0.553125
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