Reaction of AgN3 with SOCl2: Evidence for the Formation of Thionyl Azide, SO(N3)2

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• 作者：Zeng Xiaoqing ; Liu Fengyi ; Sun Qiao ; Ge Maofa ; Zhang Jianping ; Ai Xicheng ; Meng Lingpeng ; Zheng Shijun ; and Wang Dianxun
• 刊名：Inorganic Chemistry
• 出版年：2004
• 出版时间：August 9, 2004
• 年：2004
• 卷：43
• 期：16
• 页码：4799 - 4801
• 全文大小：52K
• 年卷期：v.43,no.16(August 9, 2004)
• ISSN：1520-510X

文摘

Pure thionyl azide SO(N₃)₂, which is the only gaseous reactionproduct, has been generated in a vacuum by the heterogeneousreaction of SOCl₂ vapor with AgN₃ at room temperature at a SOCl₂vapor pressure of 1 × 10^-3 Torr. Evidence for the formation ofSO(N₃)₂ is given by on line photoelectron spectroscopy (PES)combined with outer valence Green's function (OVGF) calculationswith the 6-311++G(2df) basis set. The good agreement betweenthe PES experiment and the OVGF calculation shows that SO(N₃)₂has C₁ symmetry. The first ionization energy of SO(N₃)₂ is 10.18eV.