Vibrational spectra of solid HNFX (C$_6$H$_8$F$_8$N$_8$O$_4$): Experiments and theory

ORAL

Abstract

Assignment of the vibrational spectra of molecular solids such as HNFX is very complex. We have made a combined experimental and modeling study of the vibrational spectra of solid HNFX. Crystalline HFNX consists of unit cell with 9 HNFX molecules in Ci symmetry. Vibrational modes were calculated by using the PCFF force field method and were directly compared to measured IR and Raman spectra. A complimentary calculation for molecular HNFX allows us to identify the intramolecular motions measured in experiments. Intermolecular motion by F--H bonds between HNFX molecules will be discussed in this talk.

*This work was supported by the U.S. Department of Energy, National Nuclear Security

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Authors

  • Malcolm Nicol

    • Department of Physics and High Pressure Science and Engineering Center, University of Nevada, Las Vegas, NV 89154
    • UNLV - Physics

  • Cedric Gobin

    • Department of Physics and High Pressure Science and Engineering Center, University of Nevada, Las Vegas, NV 89154

  • Eunja Kim

    • Department of Physics and High Pressure Science and Engineering Center, University of Nevada, Las Vegas, NV 89154
    • Department of Physics, University of Nevada, Las Vegas, NV 89154