nitrogen-dioxide and hexanitrostilbene

The molecular conformation evolution of Hexanitrostilbene (HNS) under high pressure was systematically investigated using Raman and Fourier transform infrared (FTIR) spectroscopy. The vibration modes of HNS associated with C-H, nitro groups, CC and the ring have been analyzed and clarified in detail under ambient conditions. trans-HNS is symmetrically distributed about -CHCH-, and six nitro groups are symmetrically distributed under ambient conditions. Two molecular conformation changes of HNS were observed at 1.4 GPa and 5 GPa due to the variations of hydrogen-bond interaction between C-H (in the ring) and N-O and the distortion of trans olefin, respectively. The hydrogen-bond interaction between C-H (in the ring) and N-O strengthened at 1.4 GPa. It induced the degenerated symmetry of the nitro groups and the Raman changes of ν

Topics: Alkenes; Hydrogen; Molecular Conformation; Nitrogen Dioxide; Spectrum Analysis, Raman