A Novel High-Density Phase and Amorphization of Nitrogen-Rich 1H-Tetrazole (CH 2 N 4) under High Pressure

Abstract

The high-pressure behaviors of nitrogen-rich 1H-tetrazole (CH 2 N 4) have been investigated by in situ synchrotron X-ray diffraction (XRD) and Raman scattering up to 75 GPa. A first crystalline-to-crystalline phase transition is observed and identified above ∼3 GPa with a large volume collapse (1/418% at 4.4 GPa) from phase I to phase II. The new phase II forms a dimer-like structure, belonging to P1 space group. Then, a crystalline-to-amorphous phase transition takes place over a large pressure range of 13.8 to 50 GPa, which is accompanied by an interphase region approaching paracrystalline state. When decompression from 75 GPa to ambient conditions, the final product keeps an irreversible amorphous state. Our ultraviolet (UV) absorption spectrum suggests the final product exhibits an increase in molecular conjugation.