Reaction of AgN₃with SOCl₂: Evidence for the Formation of Thionyl Azide, SO(N₃)₂

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.