Nature Chemistry, volume 14, issue 7, pages 794-800

Stabilization of hexazine rings in potassium polynitride at high pressure

Wang Yu 1
Bykov Maxim 2, 3
Bykova E. 2
Zhang Xiao 1
Jiang Shu-Qing 1
Greenberg E. 5, 6
Chariton Stella 5
Oganov A. R. 4
1
 
Key Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei, China
2
 
Earth and Planets Laboratory, Carnegie Institution of Washington, Washington, USA
5
 
Center for Advanced Radiations Sources, University of Chicago, Chicago, USA
6
 
Applied Physics Division SNRC, Yavne, Israel
Publication typeJournal Article
Publication date2022-04-21
Journal: Nature Chemistry
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor21.8
ISSN17554330, 17554349
General Chemistry
General Chemical Engineering
Abstract
Polynitrogen molecules are attractive for high-energy-density materials due to energy stored in nitrogen–nitrogen bonds; however, it remains challenging to find energy-efficient synthetic routes and stabilization mechanisms for these compounds. Direct synthesis from molecular dinitrogen requires overcoming large activation barriers and the reaction products are prone to inherent inhomogeneity. Here we report the synthesis of planar N62− hexazine dianions, stabilized in K2N6, from potassium azide (KN3) on laser heating in a diamond anvil cell at pressures above 45 GPa. The resulting K2N6, which exhibits a metallic lustre, remains metastable down to 20 GPa. Synchrotron X-ray diffraction and Raman spectroscopy were used to identify this material, through good agreement with the theoretically predicted structural, vibrational and electronic properties for K2N6. The N62− rings characterized here are likely to be present in other high-energy-density materials stabilized by pressure. Under 30 GPa, an unusual N20.75−-containing compound with the formula K3(N2)4 was formed instead. The planar hexazine dianion ring (N62–), which had previously been predicted to exist, has now been synthesized from potassium azide (KN3) under laser heating in a diamond anvil cell above 45 GPa; it remains metastable down to 20 GPa. By contrast, at 30 GPa an unusual N2-containing compound with the formula K3(N2)4 was produced.

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Wang Yu. et al. Stabilization of hexazine rings in potassium polynitride at high pressure // Nature Chemistry. 2022. Vol. 14. No. 7. pp. 794-800.
GOST all authors (up to 50) Copy
Wang Yu., Bykov M., Chepkasov I., Samtsevich A., Bykova E., Zhang X., Jiang S., Greenberg E., Chariton S., Prakapenka V., Oganov A. R., Goncharov A. Stabilization of hexazine rings in potassium polynitride at high pressure // Nature Chemistry. 2022. Vol. 14. No. 7. pp. 794-800.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1038/s41557-022-00925-0
UR - https://doi.org/10.1038%2Fs41557-022-00925-0
TI - Stabilization of hexazine rings in potassium polynitride at high pressure
T2 - Nature Chemistry
AU - Bykov, Maxim
AU - Chepkasov, Ilya
AU - Samtsevich, Artem
AU - Bykova, E.
AU - Zhang, Xiao
AU - Jiang, Shu-Qing
AU - Greenberg, E.
AU - Prakapenka, V.
AU - Oganov, A. R.
AU - Goncharov, Alexander
AU - Wang, Yu
AU - Chariton, Stella
PY - 2022
DA - 2022/04/21 00:00:00
PB - Springer Nature
SP - 794-800
IS - 7
VL - 14
SN - 1755-4330
SN - 1755-4349
ER -
BibTex |
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BibTex Copy
@article{2022_Wang,
author = {Maxim Bykov and Ilya Chepkasov and Artem Samtsevich and E. Bykova and Xiao Zhang and Shu-Qing Jiang and E. Greenberg and V. Prakapenka and A. R. Oganov and Alexander Goncharov and Yu Wang and Stella Chariton},
title = {Stabilization of hexazine rings in potassium polynitride at high pressure},
journal = {Nature Chemistry},
year = {2022},
volume = {14},
publisher = {Springer Nature},
month = {apr},
url = {https://doi.org/10.1038%2Fs41557-022-00925-0},
number = {7},
pages = {794--800},
doi = {10.1038/s41557-022-00925-0}
}
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Wang, Yu., et al. “Stabilization of hexazine rings in potassium polynitride at high pressure.” Nature Chemistry, vol. 14, no. 7, Apr. 2022, pp. 794-800. https://doi.org/10.1038%2Fs41557-022-00925-0.
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