Literature DB >> 22070306

"Stubborn" triaminotrinitrobenzene: unusually high chemical stability of a molecular solid to 150 GPa.

Alistair J Davidson1, Ranga P Dias, Dana M Dattelbaum, Choong-Shik Yoo.   

Abstract

We report an unexpectedly high chemical stability of molecular solid 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) under static high pressures. In contrast to the high-pressure behavior of the majority of molecular solids, TATB remains both chemically stable and an insulator to 150 GPa--well above the predicted metallization pressure of 120 GPa. Single crystal studies have shown that TATB exhibits pressure-induced Raman changes associated with two subtle structural phase transitions at 28 and 56 GPa. These phase transitions are accompanied by remarkable color changes, from yellow to orange and to dark red with increasing pressure. We suggest that the high-stability of TATB arises as a result of its hydrogen-bonded aromatic two-dimensional (2D) layered structure and highly repulsive interlayer interaction, hindering the formation of 3D networks or metallic states.

Entities:  

Year:  2011        PMID: 22070306     DOI: 10.1063/1.3658385

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Structural, mechanical properties, and vibrational spectra of LLM-105 under high pressures from a first-principles study.

Authors:  He-Hou Zong; Lei Zhang; Wei-Bin Zhang; Sheng-Li Jiang; Yi Yu; Jun Chen
Journal:  J Mol Model       Date:  2017-09-10       Impact factor: 1.810

  1 in total

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