CENTRO DE QUIMICA INORGANICA "DR. PEDRO J. AYMONINO"
Unidad Ejecutora - UE
Clorodifluoroacetyl Azide, ClF2CC(O)N3: Preparation, Properties and Decomposition
LUIS A. RAMOS; XIAOQING ZENG; SONIA E. ULIC; HELMUT BECKERS; HELGE WILLNER; CARLOS O. DELLA VÉDOVA
JOURNAL OF ORGANIC CHEMISTRY
AMER CHEMICAL SOC
Lugar: Washington; Año: 2012 vol. 2012 p. 6456 - 6456
Chlorodifluoroacetyl azide, ClF2CC(O)N3, was prepared and characterized by IR (gas, Ar matrix), Raman (liquid), UV−vis (gas), and 19F, 13C NMR spectroscopy. The vibrational spectra were analyzed in terms of a single conformer, gauche-syn, where the Cl−C and the NαNβ bonds are gauche and syn to the CO bond, respectively. The photo and thermal decomposition reactions of the azide were studied with the aid of matrix isolation. In both cases, a new isocyanate species ClF2CNCO was produced and characterized by matrix IR spectroscopy. The conforma- tional properties and the Curtius rearrangement pathways of this new carbonyl azide were theoretically explored, which suggest the preference of a concerted over stepwise decomposition for the global minimum gauche-syn conformer.