Thionitrosyl hexafluoroarsenate, [NS][AsF6], reacted with caesium azid
e, [Cs][N-3], to form S2N2 which polymerized to give (SN)(x). The stru
ctures of the following likely intermediate species were calculated at
correlated MP2/6-31G(d,p) level of theory (relative energies in kcal
mol(-1)) : thionitrosyl azide, N-3-N=S (37.8), thiazyl azide, N-3-S=N
(39.2) and cyclic N4S (0.0). Copyright (C) 1996 Elsevier Science Ltd