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Crystal structure and properties of MgCo₄Ge₆

Gieck, Christine ; Schreyer, Martin ; Fässler, Thomas Friedrich ; Raif, Fabian ; Claus, Peter :
Crystal structure and properties of MgCo₄Ge₆.
[Online-Edition: http://dx.doi.org/10.1002/ejic.200600298]
In: European Journal of Inorganic Chemistry, 2006 (17) pp. 3482-3488.
[Artikel], (2006)

Offizielle URL: http://dx.doi.org/10.1002/ejic.200600298

Kurzbeschreibung (Abstract)

MgCo4Ge6 is a novel compound in the ternary system Mg-Co-Ge. Single crystals for a structure analysis were obtained from mixtures of the elements at high temperatures in sealed tantalum ampoules. The tetragonal structure [I2m; a = 6.1725(9) and c = 8.660(2) Å; YRu4Sn6 structure type] was determined by X-ray single crystal analysis and refined to R1 = 0.027 for all data. The electronic structure is discussed by means of density of states and band-structure analyses on the basis of density functional theory. Chemical bond analysis is performed using the electron localization function (ELF). The catalytic properties of the polar intermetallic alloy with respect to the selective hydrogenation of ,-unsaturated aldehydes are discussed and compared with those of the recently investigated MgCo6Ge6

Typ des Eintrags: Artikel
Erschienen: 2006
Autor(en): Gieck, Christine ; Schreyer, Martin ; Fässler, Thomas Friedrich ; Raif, Fabian ; Claus, Peter
Titel: Crystal structure and properties of MgCo₄Ge₆
Sprache: Englisch
Kurzbeschreibung (Abstract):

MgCo4Ge6 is a novel compound in the ternary system Mg-Co-Ge. Single crystals for a structure analysis were obtained from mixtures of the elements at high temperatures in sealed tantalum ampoules. The tetragonal structure [I2m; a = 6.1725(9) and c = 8.660(2) Å; YRu4Sn6 structure type] was determined by X-ray single crystal analysis and refined to R1 = 0.027 for all data. The electronic structure is discussed by means of density of states and band-structure analyses on the basis of density functional theory. Chemical bond analysis is performed using the electron localization function (ELF). The catalytic properties of the polar intermetallic alloy with respect to the selective hydrogenation of ,-unsaturated aldehydes are discussed and compared with those of the recently investigated MgCo6Ge6

Titel der Zeitschrift, Zeitung oder Schriftenreihe: European Journal of Inorganic Chemistry
Band: 2006
(Heft-)Nummer: 17
Freie Schlagworte: Intermetallic phases • Germanium • Heterogeneous catalysis • ELF (Electron Localization Function) • Density functional theory
Fachbereich(e)/-gebiet(e): Fachbereich Chemie
Fachbereich Chemie > Technische Chemie > Technische Chemie II
Fachbereich Chemie > Technische Chemie
Hinterlegungsdatum: 20 Mär 2009 08:49
Offizielle URL: http://dx.doi.org/10.1002/ejic.200600298
ID-Nummer: 10.1002/ejic.200600298
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