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Aromatic Hexazine [N6]4- Anion Revealed in the Complex Structure of the High-Pressure Potassium Nitride K9N56

2021/12/18 by Dominique Laniel, Laniel, Dominique, Florian Trybel +29
Chemistry · Engineering · Materials Science · #Chemical Reactions and Mechanisms #Energetic Materials and Combustion #FOS: Physical sciences #Luminescence and Fluorescent Materials #Materials Science (cond-mat.mtrl-sci)

paper · pdf · doi:10.48550/arxiv.2112.09857

openalex publication_date 2021/12/18 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

Recent high-pressure synthesis of pentazolates and subsequent stabilization of the aromatic [N5]- anion at atmospheric pressure had an immense impact on nitrogen chemistry. Here, we present the first synthesis of an aromatic hexazine [N6]4- anion realized in high-pressure potassium nitride K9N56 at 46 and 61 GPa. The extremely complex structure of K9N56 was solved based on synchrotron single-crystal X-ray diffraction and corroborated by density functional theory calculations. This result resolves a long-standing question of the aromatic hexazine stability and the possibility of its synthesis.

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