Add time:07/30/2019         Source:sciencedirect.com

Pressure-dependent Raman spectroscopy studies reveal polymorph phase transition in simple molecular ionic crystal NH4N3 at pressure ≈3 GPa unobserved by recent ab initio evolutionary structure searches. Hydrogen bonding is spectroscopically evident in both low- and high-pressure phases. The strength of hydrogen bond appears to be modified at the phase transition: in the low-pressure phase NH4N3 behaves as system with very strong hydrogen bonding whereas changes of spectra with pressure in the high-pressure phase are indicative of weak or medium-strength hydrogen bonds. The high pressure phase is most likely thermodynamically stable at least up to pressure ≈55 GPa contradicting the ab initio studies predicting transformation of NH4N3 to nonmolecular hydronitrogen solid at 36 GPa.

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