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

Stabilization of hexazine rings in potassium polynitride at high pressure

Yu Wang ¹

Maxim Bykov ^{2, 3}

Ilya Chepkasov ⁴

Artem Samtsevich ⁴

E. Bykova ²

Xiao Zhang ¹

Shu-Qing Jiang ¹

E. Greenberg ^{5, 6}

Stella Chariton ⁵

V. Prakapenka ⁵

A. R. Oganov ⁴

Alexander Goncharov ²

Hide authors affiliations Show authors affiliations: 6 affiliations

Key Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei, China |

Earth and Planets Laboratory, Carnegie Institution of Washington, Washington, USA |

Department of Mathematics, Howard University, Washington, USA |

⁴

Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Moscow, Russia |

⁵

Center for Advanced Radiations Sources, University of Chicago, Chicago, USA |

⁶

Applied Physics Division SNRC, Yavne, Israel |

Publication type: Journal Article

Publication date: 2022-04-21

Springer Nature

Journal: Nature Chemistry

Quartile SCImago

Quartile WOS

Impact factor: 21.8

ISSN: 17554330, 17554349

DOI: 10.1038/s41557-022-00925-0

Copy DOI

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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Journal of the American Chemical Society	Journal of the American Chemical Society, 2, 5.56% Journal of the American Chemical Society 2 publications, 5.56%
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Science Bulletin	Science Bulletin, 1, 2.78% Science Bulletin 1 publication, 2.78%
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Citations by publishers

	1 2 3 4 5 6 7 8
American Chemical Society (ACS)	American Chemical Society (ACS), 8, 22.22% American Chemical Society (ACS) 8 publications, 22.22%
Wiley	Wiley, 7, 19.44% Wiley 7 publications, 19.44%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 6, 16.67% Royal Society of Chemistry (RSC) 6 publications, 16.67%
Elsevier	Elsevier, 5, 13.89% Elsevier 5 publications, 13.89%
Springer Nature	Springer Nature, 4, 11.11% Springer Nature 4 publications, 11.11%
American Institute of Physics (AIP)	American Institute of Physics (AIP), 1, 2.78% American Institute of Physics (AIP) 1 publication, 2.78%
Pleiades Publishing	Pleiades Publishing, 1, 2.78% Pleiades Publishing 1 publication, 2.78%
International Union of Crystallography (IUCr)	International Union of Crystallography (IUCr), 1, 2.78% International Union of Crystallography (IUCr) 1 publication, 2.78%
American Physical Society (APS)	American Physical Society (APS), 1, 2.78% American Physical Society (APS) 1 publication, 2.78%
OAE Publishing Inc.	OAE Publishing Inc., 1, 2.78% OAE Publishing Inc. 1 publication, 2.78%
Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii	Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii, 1, 2.78% Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii 1 publication, 2.78%
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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/s41557-022-00925-0

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/s41557-022-00925-0},

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/s41557-022-00925-0.

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Nature Chemistry

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21.8

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17554330 (Print)
17554349 (Electronic)

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