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  Interpenetration of a 3D Icosahedral M@Ni12 (M=Al, Ga) Framework with Porphyrin-Reminiscent Boron Layers in MNi9B8

Zheng, Q., Wagner, F. R., Ormeci, A., Prots, Y., Burkhardt, U., Schmidt, M., et al. (2015). Interpenetration of a 3D Icosahedral M@Ni12 (M=Al, Ga) Framework with Porphyrin-Reminiscent Boron Layers in MNi9B8. Chemistry – A European Journal, 21(46), 16532-16540. doi:10.1002/chem.201502266.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0029-00B5-3 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-1820-0
Genre: Journal Article

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 Creators:
Zheng, Qiang1, Author              
Wagner, Frank R.2, Author              
Ormeci, Alim1, Author              
Prots, Yurii3, Author              
Burkhardt, Ulrich4, Author              
Schmidt, Marcus5, Author              
Schnelle, Walter6, Author              
Grin, Yuri7, Author              
Leithe-Jasper, Andreas8, Author              
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2Frank Wagner, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863409              
3Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863424              
4Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863422              
5Marcus Schmidt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863415              
6Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863441              
7Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              
8Andreas Leithe-Jasper, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863406              

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 Abstract: Two ternary borides MNi9 B8 (M=Al, Ga) were synthesized by thermal treatment of mixtures of the elements. Single-crystal X-ray diffraction data reveal AlNi9 B8 and GaNi9 B8 crystallizing in a new type of structure within the space group Cmcm and the lattice parameters a=7.0896(3) A, b=8.1181(3) A, c=10.6497(4) A and a=7.0897(5) A, b=8.1579(4) A, c=10.6648(7) A, respectively. The boron atoms build up two-dimensional layers, which consist of puckered [B16 ] rings with two tailing B atoms, whereas the M atoms reside in distorted vertices-condensed [Ni12 ] icosahedra, which form a three-dimensional framework interpenetrated by boron porphyrin-reminiscent layers. An unusual local arrangement resembling a giant metallo-porphyrin entity is formed by the [B16 ] rings, which, due to their large annular size of approximately 8 A, chelate four of the twelve icosahedral Ni atoms. An analysis of the chemical bonding by means of the electron localizability approach reveals strong covalent BB interactions and weak NiNi interactions. Multi-center dative BNi interaction occurs between the Al-Ni framework and the boron layers. In agreement with the chemical bonding analysis and band structure calculations, AlNi9 B8 is a Pauli-paramagnetic metal.

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Language(s): eng - English
 Dates: 2015-09-302015-09-30
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 26418894
DOI: 10.1002/chem.201502266
 Degree: -

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Title: Chemistry – A European Journal
  Other : Chem. – Eur. J.
  Other : Chem. Eur. J.
Source Genre: Journal
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Publ. Info: Weinheim, Germany : VCH Verlagsgesellschaft
Pages: - Volume / Issue: 21 (46) Sequence Number: - Start / End Page: 16532 - 16540 Identifier: ISSN: 0947-6539
CoNE: /journals/resource/954926979058