Knowledge Bank

Pyrolysis of carbonyl diazide (CO(N$3$)$2$) has been shown to give diazirinone (CON$2$). \textbf{50} (2011), 1720-1723} While diazirione decomposes over the course of a few hours under terrestrial conditions, there is the possibility for it to exist in space. In the pursuit of obtaining a rotational spectrum for diazirinone, we have started with the rotational spectroscopy of its immediate precursor, carbonyl diazide. Carbonyl diazide is highly explosive, and requires careful synthesis. \textbf{51} (2012), 9846-9851} Spectra in the range of 260-360 GHz were collected at room temperature and at $-60^irc\}$C. \textit{Ab initio} calculations at the CCSD/cc-pVDZ level predict that the conformation where both azide groups are \textit{syn} to the carbonyl is preferred. A second conformation, where one azide is \textit{syn} and one is \textit{anti}, is calculated to lie about 2 kcal/ mol higher in energy. Pure rotational transitions for the ground state and multiple low-lying excited vibrational states of the \textit{syn- syn} conformation are readily observed and assigned.