![]() Generally, the energy of these materials progressively increases with an increasing number of nitro groups in the benzene ring ( Fig. The most representative energetic polynitrobenzenes are 2,4,6-trinitrotoluene (TNT 1863, the most famous explosive) and hexanitrobenzene (HNB 1966, the only fully nitrated benzene) ( 14– 18). Consequently, these compounds play important roles in pyrotechnics, mining engineering, aerospace exploration, and most modern defense systems ( 9– 16). 1A), which contain oxidizers (nitro groups) and fuel components (benzene ring) within a single molecule and generate energy rapidly through self-redox reactions. ![]() Polynitrobenzenes are also well-known high-energy-density materials (HEDMs) ( Fig. ![]() For example, polynitrobenzenes are important intermediates in the synthesis of amino or azo functional compounds, which are widely used as medicines, pesticides, and dyes ( 7, 8). ![]() Polysubstituted benzenes have received widespread attention and have indispensable applications in chemistry and materials fields ( 4– 6). Since the discovery of benzene by Faraday nearly 200 years ago, the functionalization of benzene has been rapidly developing, owing to the structurally diverse benzene derivatives that can be generated by replacing the six hydrogen atoms with functional substituents ( 1– 3). ![]()
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