Topochemical Synthesis of Ca 3 CrN 3 H Involving a Rotational Structural Transformation for Catalytic Ammonia Synthesis.

Authors :: Cao Y
Kirsanova MA
Ochi M
Al Maksoud W
Zhu T
Rai R
Gao S
Tsumori T
Kobayashi S
Kawaguchi S
Abou-Hamad E
Kuroki K
Tassel C
Abakumov AM
Kobayashi Y
Kageyama H
Source :: Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2022 Sep 26; Vol. 61 (39), pp. e202209187. Date of Electronic Publication: 2022 Aug 23.
Publication Year :: 2022
Abstract: Topochemical reactions have led to great progress in the discovery of new metastable compounds with novel chemical and physical properties. With these reactions, the overall crystal structure of the host material is generally maintained. Here we report a topochemical synthesis of a hexagonal nitride hydride, h-Ca <subscript>3</subscript> CrN <subscript>3</subscript> H, by heating an orthorhombic nitride, o-Ca <subscript>3</subscript> CrN <subscript>3</subscript> , under hydrogen at 673 K, accompanied by a rotational structural transformation. The hydrogen intercalation modifies the Ca-N rock-salt-like atomic packing in o-Ca <subscript>3</subscript> CrN <subscript>3</subscript> to a face-sharing octahedral chain in h-Ca <subscript>3</subscript> CrN <subscript>3</subscript> H, mimicking a "hinged tessellation" movement. In addition, the h-Ca <subscript>3</subscript> CrN <subscript>3</subscript> H exhibited stable ammonia synthesis activity when used as a catalyst.<br /> (© 2022 Wiley-VCH GmbH.)

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