Generation and photoreactions of 2,4,6-trinitreno-1,3,5-triazine, a septet trinitrene.
Generation and photoreactions of 2,4,6-trinitreno-1,3,5-triazine, a septet trinitrene.
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2,4,6-三硝基-1,3,5-三嗪（七重三硝基）的生成和光反应。
DOI：
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发表时间：
2004
影响因子：
15
通讯作者：
W. Sander
中科院分区：
文献类型：
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作者：
Tadatake Sato;A. Narazaki;Y. Kawaguchi;H. Niino;G. Bucher;Dirk Grote;J. Jens Wolff;H. Wenk;W. Sander
研究了2，4，6-三氮并-1，3，5-三嗪(氰尿三氮化物，1)的基质光解反应。通过基质红外光谱和电子顺磁共振(EPR)光谱观察到相应的单硝烯、二硝烯和三硝烯的逐步生成。通过比较基质红外光谱和密度泛函理论(DFT)计算结果，对生成的物种进行了鉴定。2，4，6-三硝基-1，3，5-三嗪的生成首次通过矩阵EPR谱得到证实。在进一步的光照射下，三硝烯很容易分解成三个NCN分子。这一过程也得到了基质EPR谱的证实。
We have studied the matrix photolysis of 2,4,6-triazido-1,3,5-triazine (cyanuric triazide, 1). Stepwise generation of the corresponding mononitrene, dinitrene, and trinitrene was observed by matrix IR and electron paramagnetic resonance (EPR) spectroscopy. The generated species were identified by comparison of their matrix IR spectra with density functional theory (DFT) computational results. The generation of 2,4,6-trinitreno-1,3,5-triazine with a septet ground state was confirmed for the first time by matrix EPR spectroscopy. The trinitrene readily decomposed into three NCN molecules upon further photoirradiation. This process was also confirmed by matrix EPR spectroscopy.