Modular Assembly Drives Synthesis of High-Energy Linked/Fused Molecules
In this study, we propose a "modular assembly" strategy to synthesize a series of new trinitromethyl high-energy molecules. For a typical molecule 1, this approach reduces the number of synthetic steps from 7 to 2 and improves the yield from 1.0% to 48.3%, representing a more than 48-fold increase compared to the traditional "skeleton first, group later" method. All synthesized molecules exhibit exceptional energetic performance, with molecule <b>1</b> demonstrating a density of 1.913 g cm<sup>-3</sup>, a detonation velocity of 9151 m s<sup>-1</sup>, and a thermal decomposition temperature of 177 °C, marking it as highly promising among trinitromethyl high-energy molecules.
Authors
- Ning Ding (ORCID: https://orcid.org/0000-0002-3689-0696)
- Chaofeng Zhao (ORCID: https://orcid.org/0000-0002-5494-0394)
- Baojing Tian (ORCID: https://orcid.org/0009-0009-7752-9838)
- Jinyu Chang (ORCID: https://orcid.org/0009-0006-6486-5558)
- Shenghua Li (ORCID: https://orcid.org/0000-0002-9144-2167)
- Qi Sun (ORCID: https://orcid.org/0000-0002-2567-8788)
- Xudong Xu (ORCID: https://orcid.org/0009-0005-6788-1759)
- Yi Jiang (ORCID: https://orcid.org/0009-0000-8218-6598)
- Ziteng Zhang (ORCID: https://orcid.org/0009-0001-0851-0502)
- Siping Pang (ORCID: https://orcid.org/0000-0003-1047-4317)
Institutions
- Beijing Institute of Technology (CN)
Publication Details
- Journal
- Organic Letters
- Published
- 2025-02-07
- DOI
- https://doi.org/10.1021/acs.orglett.4c04599
- Citations
- 4
- Primary Topic
- Machine Learning in Materials Science
- Type
- article
- Field-Weighted Citation Impact
- 2.07
Funders
- National Natural Science Foundation of China
- Beijing Institute of Technology Research Fund Program for Young Scholars