LaSr3NiRuO4H4: a 4d transition-metal oxide-hydride containing metal hydride sheets

Journal article

We report the synthesis of the first 4d transition metal oxide-hydride, LaSr3NiRuO4H4, prepared via topochemical anion exchange. Neutron diffraction data show that the hydride ions occupy the equatorial anion sites in the host lattice and as a result the Ru and Ni cations are located in a plane containing only hydride ligands - a unique structural feature with obvious parallels to the CuO2 sheets present in the superconducting cuprates. DFT calculations confirm the presence of S = ½ Ni1+ and S = 0, Ru2+ centres, but neutron diffraction and μSR data show no evidence for long-range magnetic order between the Ni centres down to 1.8 K. The observed weak inter-cation magnetic coupling can be attributed to poor overlap between Ni 3d_(z^2 ) and H 1s in the super-exchange pathways.

Authors: Jin, L; Lane, M; Zeng, D; Kirschner, F; Lang, F

• Publication status: Published
• Peer review status: Peer reviewed
• Publisher: Wiley
• Journal: Angewandte Chemie International Edition
• Volume: 57
• Issue: 18
• Pages: 5025-5028
• Publication date: 2018-03-09
• Acceptance date: 2018-03-06
• DOI: 10.1002/anie.201800989
• EISSN: 1521-3773
• ISSN: 1433-7851
• Pmid: 29520952
• Language: English
• Keywords: density functional theory; oxide-hydride; transition metals