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SSCr Meeting, Bern, 2006

La 2 MgNi 2 H 8 , the first mixed polyanionic transition metal hydride. J-N. Chotard, Y. Filinchuk, K. Yvon. SSCr Meeting, Bern, 2006. J-N. Chotard, Y. Filinchuk, K. Yvon. Introduction. Complex metal hydrides

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SSCr Meeting, Bern, 2006

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  1. La2MgNi2H8, the first mixed polyanionic transition metal hydride J-N. Chotard, Y. Filinchuk, K. Yvon SSCr Meeting, Bern, 2006 J-N. Chotard, Y. Filinchuk, K. Yvon

  2. Introduction Complex metal hydrides ~ 80 compounds containing ~ 30 different transition metal hydride complexes:almost all of them are mononuclear 1st polynuclear hydride complexes based on 3d-metal [Ni2H7]7- & [Ni4H12]12- SSCr Meeting, Bern, 2006 J-N. Chotard, Y. Filinchuk, K. Yvon

  3. Synthesis and structure determ. • La2MgNi2: arc-melting La and Ni, sintering the product with Mg • La2MgNi2H8: hydrogenation/deuteration in an autoclave:30 bar, 100°C High-resolution synchrotron powder diffraction (SNBL at ESRF):indexing, metal structure (FOX), Rietveld High-resolution neutron powder diffraction (HRPT, SINQ, PSI):16 deuterium atom positions (FOX), Rietveld SSCr Meeting, Bern, 2006 J-N. Chotard, Y. Filinchuk, K. Yvon

  4. Structure of La2MgNi2H8 Metal atom shifts < 0.65 Å La2MgNi2 La2MgNi2H8 Tetragonal Monoclinic 7.64 3.94 Å 11.84 7.82 11.96 Å 92.78 ° SSCr Meeting, Bern, 2006 J-N. Chotard, Y. Filinchuk, K. Yvon

  5. Two types of D-atom positions La2MgNi2 La2MgNi2H8 SSCr Meeting, Bern, 2006 J-N. Chotard, Y. Filinchuk, K. Yvon

  6. Bonding :18 electron rule La3+, Mg2+[Ni2H7]7-, [Ni4H12]12-, H- 64 electrons 34 electrons This concept is supported by observed changes in physical properties SSCr Meeting, Bern, 2006 J-N. Chotard, Y. Filinchuk, K. Yvon

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