Reaction of AgN3 with SOCl2: evidence for the formation of thionyl azide, SO(N3)2

Xiaoqing Zeng; Fengyi Liu; Qiao Sun; Maofa Ge; Jianping Zhang; Xicheng Ai; Lingpeng Meng; Shijun Zheng; Dianxun Wang

doi:10.1021/ic049442s

Reaction of AgN3 with SOCl2: evidence for the formation of thionyl azide, SO(N3)2

Inorg Chem. 2004 Aug 9;43(16):4799-801. doi: 10.1021/ic049442s.

Authors

Xiaoqing Zeng¹, Fengyi Liu, Qiao Sun, Maofa Ge, Jianping Zhang, Xicheng Ai, Lingpeng Meng, Shijun Zheng, Dianxun Wang

Affiliation

¹ State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Science, Beijing 100080, China.

PMID: 15285648
DOI: 10.1021/ic049442s

Abstract

Pure thionyl azide SO(N(3))(2), which is the only gaseous reaction product, has been generated in a vacuum by the heterogeneous reaction of SOCl(2) vapor with AgN(3) at room temperature at a SOCl(2) vapor pressure of 1 x 10(-3) Torr. Evidence for the formation of SO(N(3))(2) is given by on line photoelectron spectroscopy (PES) combined with outer valence Green's function (OVGF) calculations with the 6-311++G(2df) basis set. The good agreement between the PES experiment and the OVGF calculation shows that SO(N(3))(2) has C(1) symmetry. The first ionization energy of SO(N(3))(2) is 10.18 eV.