Vibrational spectrum of gamma-HNIW investigated using terahertz time-domain spectroscopy

Experimental and theoretical investigations of the vibration spectrum of gamma-Hexanitrohexaazaisowurtzitane in the region of 0.2-2.5 terahertz are presented for the first time. The refraction index, absorption coefficient, and complex dielectric function of this sample are measured by terahertz time-domain spectroscopy. The simulated spectrum using density functional theory (DFT) is in agreement with the experimental data. The observed spectra features are assigned based on DFT calculation.