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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >A Study of the Thermal Decomposition of 2-Azidoacetamide by Ultraviolet Photoelectron Spectroscopy and Matrix-Isolation Infrared Spectroscopy: Identification of the Imine Intermediate H_2NCOCHNH
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A Study of the Thermal Decomposition of 2-Azidoacetamide by Ultraviolet Photoelectron Spectroscopy and Matrix-Isolation Infrared Spectroscopy: Identification of the Imine Intermediate H_2NCOCHNH

机译：紫外光电子能谱和基质隔离红外光谱法研究2-叠氮基乙酰胺的热分解：亚胺中间体H_2NCOCHNH的鉴定

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摘要

The thermal decomposition of 2-azidoacetamide (N_3CH_2CONH_2)has been studied by matrix-isolation infrared Spectroscopy and real-time ultraviolet photoelectron Spectroscopy.N_2,CH_2NH,HNCO,CO,NH_3,and HCN are observed as high-temperature decomposition products,while at lower temperatures,the novel imine intermediate H_2NCOCH=NH is observed in the matrix-isolation IR experiments.The identity of this intermediate is confirmed both by ab initio molecular orbital calculations of its IR spectrum and by the temperature dependence and distribution of products in the photoelectron Spectroscopy (PES)and IR studies.Mechanisms are proposed for the formation and decomposition of the intermediate consistent both with the observed results and with estimated activation energies based on pathway calculations.
机译：通过基质隔离红外光谱和实时紫外光电子能谱研究了2-叠氮基乙酰胺（N_3CH_2CONH_2）的热分解。观察到N_2，CH_2NH，HNCO，CO，NH_3和HCN是高温分解产物，而在在较低的温度下，通过基质分离IR实验观察到了新型的亚胺中间体H_2NCOCH = NH。该中间体的身份已通过其IR光谱的从头算分子轨道计算以及通过光电子中产物的温度依赖性和分布得到了证实。光谱学（PES）和IR研究。提出了中间体的形成和分解机理，该机理与观察到的结果以及根据途径计算估算的活化能均相一致。

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