A stable compound of helium and sodium at high pressure

Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, usi...

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Vydáno v:	Nature chemistry Ročník 9; číslo 5; s. 440 - 445
Hlavní autoři:	Dong, Xiao, Oganov, Artem R., Goncharov, Alexander F., Stavrou, Elissaios, Lobanov, Sergey, Saleh, Gabriele, Qian, Guang-Rui, Zhu, Qiang, Gatti, Carlo, Deringer, Volker L., Dronskowski, Richard, Zhou, Xiang-Feng, Prakapenka, Vitali B., Konôpková, Zuzana, Popov, Ivan A., Boldyrev, Alexander I., Wang, Hui-Tian
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	London Nature Publishing Group UK 01.05.2017 Nature Publishing Group
Témata:	119/118 140/133 639/638/263/915 639/638/440/94 639/638/440/947 Analytical Chemistry Biochemistry chemical physics Chemistry Chemistry/Food Science electron transfer Electrons Helium High pressure Inorganic Chemistry INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Ionization Laboratories Organic Chemistry Physical Chemistry Physics Science Sodium solid-state chemistry United States > US China Germany Utah Russia
ISSN:	1755-4330, 1755-4349, 1755-4349
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Abstract	Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na 2 He, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes this material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na 8 cubes. We also predict the existence of Na 2 HeO with a similar structure at pressures above 15 GPa. Helium is generally recognized as being chemically inert. A thermodynamically stable compound of helium and sodium, Na 2 He, has been predicted computationally and then synthesized at high pressure. It exists as an electride, where strongly localized electrons serve as anions located at the centre of Na 8 cubes.
AbstractList	Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na He, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes this material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na cubes. We also predict the existence of Na HeO with a similar structure at pressures above 15 GPa. Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na2 He, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes this material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na8 cubes. We also predict the existence of Na2 HeO with a similar structure at pressures above 15 GPa. Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na2He, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes this material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na8 cubes. We also predict the existence of Na2HeO with a similar structure at pressures above 15 GPa. Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na2He, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes this material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na8 cubes. We also predict the existence of Na2HeO with a similar structure at pressures above 15 GPa.Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na2He, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes this material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na8 cubes. We also predict the existence of Na2HeO with a similar structure at pressures above 15 GPa. Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na sub(2)He, which has a fluorite-type structure and is stable at pressures >113GPa. We show that the presence of He atoms causes strong electron localization and makes this material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na sub(8) cubes. We also predict the existence of Na sub(2)HeO with a similar structure at pressures above 15GPa. Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na 2 He, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes this material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na 8 cubes. We also predict the existence of Na 2 HeO with a similar structure at pressures above 15 GPa. Helium is generally recognized as being chemically inert. A thermodynamically stable compound of helium and sodium, Na 2 He, has been predicted computationally and then synthesized at high pressure. It exists as an electride, where strongly localized electrons serve as anions located at the centre of Na 8 cubes.
Author	Zhou, Xiang-Feng Dong, Xiao Goncharov, Alexander F. Gatti, Carlo Popov, Ivan A. Wang, Hui-Tian Lobanov, Sergey Stavrou, Elissaios Saleh, Gabriele Boldyrev, Alexander I. Oganov, Artem R. Prakapenka, Vitali B. Deringer, Volker L. Dronskowski, Richard Konôpková, Zuzana Zhu, Qiang Qian, Guang-Rui
Author_xml	– sequence: 1 givenname: Xiao surname: Dong fullname: Dong, Xiao organization: School of Physics and MOE Key Laboratory of Weak-Light Nonlinear Photonics, Nankai University, Center for High Pressure Science and Technology Advanced Research, Department of Geosciences, Stony Brook University, Stony Brook – sequence: 2 givenname: Artem R. orcidid: 0000-0001-7082-9728 surname: Oganov fullname: Oganov, Artem R. email: artem.oganov@sunysb.edu organization: Department of Geosciences, Stony Brook University, Stony Brook, Skolkovo Institute of Science and Technology, 3 Nobel Street, Moscow Institute of Physics and Technology, 9 Institutskiy Lane, Dolgoprudny city, International Centre for Materials Discovery, Northwestern Polytechnical University – sequence: 3 givenname: Alexander F. surname: Goncharov fullname: Goncharov, Alexander F. organization: Geophysical Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road, Key Laboratory of Materials Physics and Center for Energy Matter in Extreme Environments, Institute of Solid State Physics, Chinese Academy of Sciences, 350 Shushanghu Road – sequence: 4 givenname: Elissaios surname: Stavrou fullname: Stavrou, Elissaios organization: Geophysical Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road, Lawrence Livermore National Laboratory, Physical and Life Sciences Directorate, PO Box 808 L-350 – sequence: 5 givenname: Sergey surname: Lobanov fullname: Lobanov, Sergey organization: Geophysical Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road, Sobolev Institute of Geology and Mineralogy, Siberian Branch Russian Academy of Sciences, 3 Pr. Ac. Koptyga – sequence: 6 givenname: Gabriele surname: Saleh fullname: Saleh, Gabriele organization: Moscow Institute of Physics and Technology, 9 Institutskiy Lane, Dolgoprudny city – sequence: 7 givenname: Guang-Rui surname: Qian fullname: Qian, Guang-Rui organization: Department of Geosciences, Stony Brook University, Stony Brook – sequence: 8 givenname: Qiang surname: Zhu fullname: Zhu, Qiang organization: Department of Geosciences, Stony Brook University, Stony Brook – sequence: 9 givenname: Carlo surname: Gatti fullname: Gatti, Carlo organization: Istituto di Scienze e Tecnologie Molecolari del CNR (CNR-ISTM) e Dipartimento di Chimica, Universita’ di Milano, via Golgi 19 – sequence: 10 givenname: Volker L. surname: Deringer fullname: Deringer, Volker L. organization: Chair of Solid-State and Quantum Chemistry, RWTH Aachen University – sequence: 11 givenname: Richard surname: Dronskowski fullname: Dronskowski, Richard organization: Chair of Solid-State and Quantum Chemistry, RWTH Aachen University – sequence: 12 givenname: Xiang-Feng orcidid: 0000-0001-8651-9273 surname: Zhou fullname: Zhou, Xiang-Feng email: xfzhou@nankai.edu.cn organization: School of Physics and MOE Key Laboratory of Weak-Light Nonlinear Photonics, Nankai University, Department of Geosciences, Stony Brook University, Stony Brook – sequence: 13 givenname: Vitali B. surname: Prakapenka fullname: Prakapenka, Vitali B. organization: Center for Advanced Radiation Sources, University of Chicago – sequence: 14 givenname: Zuzana surname: Konôpková fullname: Konôpková, Zuzana organization: Photon Science DESY – sequence: 15 givenname: Ivan A. orcidid: 0000-0003-2663-3685 surname: Popov fullname: Popov, Ivan A. organization: Department of Chemistry and Biochemistry, Utah State University, Chemistry Department, Faculty of Science, RUDN University – sequence: 16 givenname: Alexander I. surname: Boldyrev fullname: Boldyrev, Alexander I. organization: Department of Chemistry and Biochemistry, Utah State University – sequence: 17 givenname: Hui-Tian surname: Wang fullname: Wang, Hui-Tian email: htwang@nankai.edu.cn organization: School of Physics and MOE Key Laboratory of Weak-Light Nonlinear Photonics, Nankai University, Collaborative Innovation Center of Advanced Microstructures, Nanjing University
BackLink	https://www.ncbi.nlm.nih.gov/pubmed/28430195$$D View this record in MEDLINE/PubMed https://www.osti.gov/biblio/1355028$$D View this record in Osti.gov
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ContentType	Journal Article
Copyright	Springer Nature Limited 2017 Copyright Nature Publishing Group May 2017
Copyright_xml	– notice: Springer Nature Limited 2017 – notice: Copyright Nature Publishing Group May 2017
CorporateAuthor	Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
CorporateAuthor_xml	– name: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
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DOI	10.1038/nchem.2716
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Snippet	Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and...
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SubjectTerms	119/118 140/133 639/638/263/915 639/638/440/94 639/638/440/947 Analytical Chemistry Biochemistry chemical physics Chemistry Chemistry/Food Science electron transfer Electrons Helium High pressure Inorganic Chemistry INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Ionization Laboratories Organic Chemistry Physical Chemistry Physics Science Sodium solid-state chemistry
Title	A stable compound of helium and sodium at high pressure
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