Effect of Pressure on 4-Toluenesulfonyl Azide Studied by Raman Scattering and Synchrotron X-ray Diffraction

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• 作者：Junru Jiang ; Xuefeng Li ; Peifen ZhuDongmei Li ; Xue HanQiliang Cui ; Hongyang Zhu
• 刊名：Journal of Physical Chemistry C
• 出版年：2017
• 出版时间：January 19, 2017
• 年：2017
• 卷：121
• 期：2
• 页码：1032-1039
• 全文大小：754K
• ISSN：1932-7455

文摘

The effect of high pressure on the phase transition behaviors of 4-toluenesulfonyl azide (C₇H₇N₃O₂S, 4-TsN₃) have been investigated by Raman scattering and angle-dispersive X-ray diffraction (ADXRD) measurements in diamond anvil cells up to ∼15.6 GPa at room temperature. The liquid 4-TsN₃ (phase I) begins to transform into solid state (phase II) at 0.7 GPa, and turns to phase III at about 2.7 GPa, then going to phase IV at about 6.3 GPa. The phase IV of 4-TsN₃ finally starts to turn into an amorphous state above 10.6 GPa. The first phase transition (phase I to phase II) of 4-TsN₃ is triggered by the rearrangement of C—H···π interaction, and the second phase transition (phase II to phase III) is attributed to the conformational change, then the rotation of sulfonyl leads to the third phase transition (phase III to phase IV). The variation of sulfonyl has an influence on the behavior of azide group which will bend and further decompose upon compression. In the process of amorphization, the lattice structure of 4-TsN₃ abnormally expanded, which may be caused by the change of C—H···π interactions. We anticipate that the high pressure study of 4-TsN₃ provides information toward further understanding and optimizing synthesis conditions of the polymeric nitrogen using azides as starting materials, especially using organic azides.