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High‐Pressure Vibrational Spectroscopy of Hexahydro‐ 1,3,5‐Trinitro‐1,3,5‐Triazine (RDX)
Author(s) -
Zheng Xianxu,
Zhao Jun,
Tan Duowang,
Liu Cangli,
Song Yunfei,
Yang Yanqiang
Publication year - 2011
Publication title -
propellants, explosives, pyrotechnics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.56
H-Index - 65
eISSN - 1521-4087
pISSN - 0721-3115
DOI - 10.1002/prep.200900081
Subject(s) - raman spectroscopy , diamond anvil cell , hydrostatic pressure , phase transition , molecular vibration , spectroscopy , molecule , analytical chemistry (journal) , materials science , chemistry , crystal (programming language) , spectral line , phase (matter) , high pressure , optics , organic chemistry , computer science , thermodynamics , programming language , physics , engineering physics , quantum mechanics , astronomy , engineering
The molecular‐level response of RDX to hydrostatic compression was examined in a diamond anvil cell using Raman spectroscopy. The pressure‐induced alterations in spectral profiles of the CN stretching mode (886 cm −1 ) were studied up to 8.3 GPa. At pressures near 4.4 GPa, several changes of the CN stretching mode become immediately apparent in Raman spectrum, such as large frequency shifts, line broadening, mode splitting, and intensity changes, which are associated with the α – γ phase transition and rearrangement between the RDX molecules. The high pressure Raman spectra changes of the CN stretching mode are indicative of an α – γ phase transition, and also suggest the lowering of molecular symmetry and crystal symmetry, which are expected to provide some insight into RDX molecular stability and decomposition.