Remarkable Dinitrogen Activation and Cleavage by the Gd Dimer: From Dinitrogen Complexes to Ring and Cage Nitrides

Authors

  • Mingfei Zhou Prof. Dr.,

    1. Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Advanced Materials Laboratory, Fudan University, Shanghai 200433, China, Fax: (+86) 21-6564-3532
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  • Xi Jin,

    1. Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Advanced Materials Laboratory, Fudan University, Shanghai 200433, China, Fax: (+86) 21-6564-3532
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  • Yu Gong,

    1. Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Advanced Materials Laboratory, Fudan University, Shanghai 200433, China, Fax: (+86) 21-6564-3532
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  • Jun Li Prof. Dr.

    1. Department of Chemistry & Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Tsinghua University, Beijing 100084, China, Fax: (+86) 10-6277-1149
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  • This work was supported by NKBRSF (2004CB719501 and 2006CB932300) and NNSFC (20433080 and 20525104), and the calculations were performed by using a HP Itanium2 cluster at the National Laboratory for Information Science and Technology at Tsinghua University.

Abstract

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Von Grund auf: Gd2-Moleküle reagieren mit N2 in festem Argon zu einem homoleptischen Distickstoff-Zweikernkomplex mit stark aktiviertem side-on- und end-on-gebundenem N2-Liganden (siehe Schema; Gd orange, N blau). Der Komplex lagert sich in das planare cyclische Isomer [Gd(μ-N)2Gd] um, in dem keine N-N-Bindung mehr vorliegt; diese Spezies dimerisiert zu dem würfelförmigen Cluster [Gd4N4], der als Baustein in (GdN)x-Nanopartikeln auftritt.

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