High-Pressure Synthesis of K <sub>4</sub> N <sub>6</sub> with All Nitrogen Atoms Forming Aromatic Hexazine [N <sub>6</sub> ] <sup>4–</sup> Anions
Realizing compounds entirely composed of aromatic hexazine N<sub>6</sub> rings with high stability is a long-term challenge. Existing high-pressure synthesized compounds contain a maximum of 5.36% N atoms, forming aromatic [N<sub>6</sub>]<sup>4-</sup> rings. We predict that all N atoms contribute to aromatic [N<sub>6</sub>]<sup>4-</sup> rings in K<sub>4</sub>N<sub>6</sub>, which become stable at 60 GPa and can stably exist up to 600 K at 0 GPa. Furthermore, K and KN<sub>3</sub> are suggested as precursors for the synthesis of K<sub>4</sub>N<sub>6</sub>. Following this approach, based on the diamond anvil cell, K<sub>4</sub>N<sub>6</sub> with 100% nitrogen atoms forming aromatic hexazine [N<sub>6</sub>]<sup>4-</sup> rings is synthesized at 45 GPa after laser heating and identified by synchrotron X-ray diffraction and Raman spectroscopy. Our results bring us closer to achieving aromatic N<sub>6</sub> rings at ambient condition.
Authors
- Deyuan Yao
- Xianlong Wang (ORCID: https://orcid.org/0000-0002-2087-4800)
- Guo Chen (ORCID: https://orcid.org/0000-0002-5622-5458)
- 曾雉
- Jie Zhang
- Tingting Ye
- Pei Wang
- Xin Zhang
- Junfeng Ding
- Jing Zhao
Institutions
- University of Science and Technology of China (CN)
- Material Physics Center (ES)
- Institute of Solid State Physics (CN)
Publication Details
- Journal
- Journal of the American Chemical Society
- Published
- 2026-02-23
- DOI
- https://doi.org/10.1021/jacs.5c21993
- Primary Topic
- Energetic Materials and Combustion
- Type
- article
- Field-Weighted Citation Impact
- 0.00