High Pressure Study of Pharmaceutical and Energetic Material Hexamethylenetetramine

• DOI: 10.1021/acs.jpcc.3c03934
• Publication Date: 2023-09-01T09:57:43Z
• Authors: Ran Jiang; Tingting Yan; Dongyang Xi; Dandan Zhang; Yifei Xu; Siqi Niu; Jian Ma
• Keywords: Hexamethylenetetramine; Tetragonal crystal system; Crystal (programming language); Space group

This study presents the results of high-pressure Raman and angle-dispersive X-ray diffraction (ADXRD) investigations conducted on hexamethylenetetramine (HMT, (CH2)6N4), a hydrogen-bonded pharmaceutical energetic material, across range pressures up to approximately 20 GPa. Notably, two distinct phase transitions at around 1.1 GPa within pressure interval 10 12.5 were identified. Both spectroscopy ADXRD substantiate existence these transitions. The crystal structure II could be indexed refined as tetragonal system with P4/n space group, while III exhibits P41 group. Furthermore, it is noteworthy that observed are fully reversible upon complete release. Drawing variations in CNC, CN, CH2 modes phases, we posit arise from rearrangements networks.