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The First Ternary Phase in the Ga–Sn–Pd System: Synthesis, Crystal Structure, and Catalytic Properties of Ga 2+ x + y Sn 4– x Pd 9
Author(s) -
Matselko Oksana,
Burkhardt Ulrich,
Prots Yurii,
Zimmermann René R.,
Armbrüster Marc,
Gladyshevskii Roman,
Grin Yuri
Publication year - 2017
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201700481
Subject(s) - chemistry , ternary operation , crystallography , acetylene , crystal structure , crystal (programming language) , catalysis , ternary compound , phase (matter) , electron density , single crystal , x ray crystallography , diffraction , stereochemistry , electron , inorganic chemistry , physics , organic chemistry , computer science , programming language , optics , quantum mechanics
The new ternary compound Ga 2+ x + y Sn 4– x Pd 9 ( 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 m, a = 12.4048(9) Å, Z = 8, 222 reflections, R F = 0.035]. The crystal structure of Ga 2+ x + y Sn 4– x Pd 9 is related to the Ti 2 Ni type and its filled derivatives ( η ‐phases) with additional Pd atoms at octahedrally and tetrahedrally coordinated sites. The electronic density of states of Ga 2+ x + y Sn 4– x Pd 9 is similar to those of the binary compounds GaPd and GaPd 2 , 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 Ga 2+ x + y Sn 4– x Pd 9 .