首页> 外文OA文献 >Transient resonance Raman spectroscopy and density functional theory investigation of iso-CHBr 2Cl and iso-CCl 3Br photoproducts produced following ultraviolet excitation of CHBr 2Cl and CCl 3Br
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Transient resonance Raman spectroscopy and density functional theory investigation of iso-CHBr 2Cl and iso-CCl 3Br photoproducts produced following ultraviolet excitation of CHBr 2Cl and CCl 3Br

机译:紫外激发CHBr 2Cl和CCl 3Br后产生的异-CHBr 2 Cl和iso-CCl 3Br光产物的瞬态共振拉曼光谱和密度泛函理论研究

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摘要

Two polyhalomethanes that contain bromine and chlorine atoms (CHBr 2Cl and CCl 2Br) were studied. Transient resonance Raman spectra were obtained for the photoproducts produced after ultraviolet excitation of CHBr 2Cl and CCl 3Br in room temperature solutions and density functional theory calculations for species proposed to be products of the photodissociation reactions in the solution phase. It was found that the iso-CHBrCl-Br and iso-CHClBr-Br species are formed following ultraviolet excitation of CHBr 2Cl and the iso-CCl 2Cl-Br species formed following ultraviolet excitation of CCl 3Br in the solution phase.
机译:研究了两种含有溴和氯原子的多卤甲烷(CHBr 2Cl和CCl 2Br)。在室温溶液中紫外线激发CHBr 2Cl和CCl 3Br后获得的光产物获得了瞬态共振拉曼光谱,并提出了被认为是溶液相中光解离反应产物的物质的密度泛函理论计算。发现在溶液相中CHBr 2Cl的紫外线激发后形成了异-CHBrCl-Br和iso-CHClBr-Br物质,在溶液相中紫外线激发了CCl 3Br形成了异-CCl 2Cl-Br。

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