title: Synthesis and characterization of carbonyl diazide, OC(N3)2.
abstract: The previously recognized "extremely explosive" carbonyl diazide, OC(N(3))(2), was prepared as a pure compound and unambiguously characterized by gas-phase IR, matrix IR, and Raman spectroscopy and X-ray crystallography for the first time. The pure substance shows remarkable kinetic stability at room temperature in the gaseous, liquid, and solid states. A melting point of 16 °C and vapor pressure of 5.6 mbar at 0 °C were determined. Two planar conformers were found in the gas phase, and a composition of 12% anti-syn versus 88% syn-syn conformer in the gaseous equilibrium mixture at room temperature was estimated by matrix IR spectroscopy. In the crystal structure, only the more stable syn-syn conformer was observed. The preference of the syn-syn configuration was supported by DFT calculations.
authors.affiliation: Bergische Universität Wuppertal, FB C-Anorganische Chemie, Gauss Strasse 20, D-42097 Wuppertal, Germany.
authors.forename: Xiaoqing
authors.initials: X
authors.lastname: Zeng
authors.forename: Michael
authors.initials: M
authors.lastname: Gerken
authors.forename: Helmut
authors.initials: H
authors.lastname: Beckers
authors.forename: Helge
authors.initials: H
authors.lastname: Willner