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  The First Ternary Phase in the Ga-Sn-Pd System: Synthesis, Crystal Structure, and Catalytic Properties of Ga2+x+ySn4-xPd9

Matselko, O., Burkhardt, U., Prots, Y., Zimmermann, R. R., Armbrüster, M., Gladyshevskii, R., et al. (2017). The First Ternary Phase in the Ga-Sn-Pd System: Synthesis, Crystal Structure, and Catalytic Properties of Ga2+x+ySn4-xPd9. European Journal of Inorganic Chemistry, (29), 3542-3550. doi:10.1002/ejic.201700481.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-DE57-B Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-DE63-F
Genre: Journal Article

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 Creators:
Matselko, Oksana1, Author              
Burkhardt, Ulrich2, Author              
Prots, Yurii3, Author              
Zimmermann, René R.1, Author              
Armbrüster, Marc4, Author
Gladyshevskii, Roman4, Author
Grin, Yuri5, Author              
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863422              
3Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863424              
4External Organizations, ou_persistent22              
5Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              

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 Abstract: The new ternary compound Ga2+x+ySn4-xPd9 (x = 0.72, y = 0.06) was synthesized by arc melting of the elements. The crystal structure was solved from the single-crystal X-ray diffraction data [space group Fd<(3)overbar>m, a = 12.4048(9) angstrom, Z = 8, 222 reflections, R-F = 0.035]. The crystal structure of Ga2+x+ySn4-xPd9 is related to the Ti2Ni type and its filled derivatives (eta-phases) with additional Pd atoms at octahedrally and tetrahedrally coordinated sites. The electronic density of states of Ga2+x+ySn4-xPd9 is similar to those of the binary compounds GaPd and GaPd2, which are catalytically active in the semihydrogenation of acetylene. Quantum-chemical calculations revealed a distribution of the electron localizability indicator analogous to that for GaPd in a system of heteroatomic electron-deficient two-center interactions. In contrast to the arrangement in GaPd, the spatial organization of these interactions hinders the formation of isolated active sites on the surface and results in a relatively low catalytic activity for Ga2+x+ySn4-xPd9.

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Language(s): eng - English
 Dates: 2017-06-152017-06-15
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 000407395100009
DOI: 10.1002/ejic.201700481
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Title: European Journal of Inorganic Chemistry
  Abbreviation : Eur. J. Inorg. Chem.
Source Genre: Journal
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Publ. Info: Weinheim, Germany : Wiley-VCH
Pages: - Volume / Issue: (29) Sequence Number: - Start / End Page: 3542 - 3550 Identifier: ISSN: 1434-1948
CoNE: /journals/resource/954926953810_1