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Inorganics 2017, 5(1), 10;

Synthesis, Crystal Structure, Polymorphism, and Magnetism of Eu(CN3H4)2 and First Evidence of EuC(NH)3

Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52056 Aachen, Germany
Jülich-Aachen Research Alliance, JARA-HPC, RWTH Aachen University, 52056 Aachen, Germany
Author to whom correspondence should be addressed.
Academic Editor: Steve Liddle
Received: 19 December 2016 / Revised: 30 January 2017 / Accepted: 2 February 2017 / Published: 7 February 2017
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We report the first magnetically coupled guanidinate, α-Eu(CN3H4)2 (monoclinic, P21, a = 5.8494(3) Å, b = 14.0007(8) Å, c = 8.4887(4) Å, β = 91.075(6)°, V = 695.07(6) Å3, Z = 4). Its synthesis, polymorphism, crystal structure, and properties are complemented and supported by density-functional theory (DFT) calculations. The α-, β- and γ-polymorphs of Eu(CN3H4)2 differ in powder XRD, while the γ-phase transforms into the β-form over time. In α-Eu(CN3H4)2, Eu is octahedrally coordinated and sits in one-dimensional chains; the guanidinate anions show a hydrogen-bonding network. The different guanidinate anions are theoretically predicted to adopt syn-, anti- and all-trans-conformations. Magnetic measurements evidence ferromagnetic interactions, presumably along the Eu chains. Finally, EuC(NH)3 (isostructural to SrC(NH)3 and YbC(NH)3, hexagonal, P63/m, a = 5.1634(7) Å, c = 7.1993(9) Å, V = 166.23(4) Å3, Z = 2) is introduced as a possible ferromagnet. View Full-Text
Keywords: europium; guanidinate; DFT; IR; liquid ammonia europium; guanidinate; DFT; IR; liquid ammonia

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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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Görne, A.L.; George, J.; van Leusen, J.; Dronskowski, R. Synthesis, Crystal Structure, Polymorphism, and Magnetism of Eu(CN3H4)2 and First Evidence of EuC(NH)3. Inorganics 2017, 5, 10.

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