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  Na3[BN2] and Na2K[BN2]: A Known and a Novel Alkali Metal Dinitridoborate Obtained via Mild Thermal Dehydrogenation

Koz, C., Acar, S., Prots, Y., Höhn, P., & Somer, M. (2014). Na3[BN2] and Na2K[BN2]: A Known and a Novel Alkali Metal Dinitridoborate Obtained via Mild Thermal Dehydrogenation. Zeitschrift für anorganische und allgemeine Chemie, 640(2), 279-285. doi:10.1002/zaac.201300445.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0018-A656-9 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-B17F-8
Genre: Journal Article

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Koz, Cevriye1, Author              
Acar, Selçuk2, Author
Prots, Yurii3, Author              
Höhn, Peter4, Author              
Somer, Mehmet2, Author
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2External Organizations, ou_persistent22              
3Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863424              
4Peter Höhn, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863419              

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 Abstract: Na3[BN2] and Na2K[BN2] were obtained as white polycrystalline powders from the reaction of the respective binary mixtures NaNH2:NaBH4 and NaNH2:KBH4 in molar ratio 2:1 at 873 K and 683 K, respectively, in an argon stream. According to the results of thermal analysis measurements, both compounds are thermally stable only up to 954 K (Na3[BN2]) and 712 K (Na2K[BN2]), respectively, decomposing under evolution of alkali metal and nitrogen to yield hexagonal BN as final residue, which was identified from powder patterns. The crystal structure of Na3[BN2] {β-Li3[BN2] type; P21/c (No. 14); Z = 4} was confirmed and the unit cell parameters redetermined: a = 5.724(1) Å, b = 7.944(1) Å, c = 7.893(1) Å, β = 111.31(1)°. According to X-ray powder data, Na2K[BN2] crystallizes isotypic to Na2KCuO2 in the tetragonal space group I4/mmm (No. 139) with a = 4.2359(1) Å, c = 10.3014(2) Å and Z = 2. The crystal structure of Na2K[BN2] is composed of linear [N–B–N]3– anions centering elongated M14 rhombic dodecahedra, which are formed by 8 sodium and 6 potassium atoms. The [BN2]@Na8/4K6/6 polyhedra are stacked along [001] and condensed via common tetragonal faces to generate a space-filling 3D arrangement. The B–N bond lengths for the strictly linear [N–B–N]3– units are 1.357(4) Å. Vibrational spectra of the title compounds were measured and analyzed based on D∞h symmetry of the relevant [N–B–N]3– groups taking into account the site symmetry effects for Na3[BN2]. Both the wavenumbers, as well as the calculated valence force constants f(B–N) = 7.29 N·cm–1 (Na3[BN2]) and 7.33 N·cm–1 (Na2K[BN2]), respectively, are in good agreement with those of the known alkali and alkaline earth dinitridoborates.

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 Dates: 2014-02-01
 Publication Status: Published in print
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 Identifiers: ISI: 000331948000003
DOI: 10.1002/zaac.201300445
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Title: Zeitschrift für anorganische und allgemeine Chemie
  Other : Journal of Inorganic and General Chemistry
  Other : J. Inorg. Gen Chem.
  Other : Zeitschrift fuer Anorganische und Allgemeine Chemie
  Abbreviation : Z. Anorg. Allg. Chem.
Source Genre: Journal
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Publ. Info: Weinheim : WILEY-VCH Verlag GmbH & Co. KGaA
Pages: - Volume / Issue: 640 (2) Sequence Number: - Start / End Page: 279 - 285 Identifier: ISSN: 0044-2313
CoNE: /journals/resource/954925453895