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

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journal contribution
posted on 2004-08-09, 00:00 authored by Zeng, Liu, Sun, Ge, Zhang, Ai, Meng, Zheng, Wang
Pure thionyl azide SO(N3)2, which is the only gaseous reaction product, has been generated in a vacuum by the heterogeneous reaction of SOCl2 vapor with AgN3 at room temperature at a SOCl2 vapor pressure of 1 × 10-3 Torr. Evidence for the formation of SO(N3)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(N3)2 has C1 symmetry. The first ionization energy of SO(N3)2 is 10.18 eV.