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Electric Field Gradients at Hydrogen and Metal Sites in Light Metal Hydrides

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Carbon Nanomaterials in Clean Energy Hydrogen Systems - II

Part of the book series: NATO Science for Peace and Security Series C: Environmental Security ((NAPSC,volume 2))

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Abstract

The results of measuring the quadrupole coupling constants and asymmetry parameters at deuterium and metal sites in amorphous BeD2, crystalline α-MgD2, and crystalline α-AlD3 by solid state NMR, as well as the results of ab initio Hartree–Fock calculations of the EFG tensors at hydrogen and metal positions for some (BenHm), (MgnHm), and (AlnHm) clusters, are reported. It have been found that the magnitude of the EFG at the hydrogen sites is more than an order of magnitude larger than at the metal sites. The sign, amplitude, and asymmetry parameter at hydrogen depend on the M–H–M angle.

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Acknowledgments

This work was supported by the Russian Foundation for Basic Research, project no.10-03-00055a

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Authors and Affiliations

  1. Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, 119991, Moscow, Russia

    V. P. Tarasov

  2. Chemical Department, University of Pacific, Stockton, CA, USA

    D. E. Izotov

  3. Institute of Problems of Chemical Physics, Russian Academy of Sciences, 142432, Chernogolovka, Russia

    Yu. M. Shul’ga

Authors
  1. V. P. Tarasov
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  2. D. E. Izotov
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  3. Yu. M. Shul’ga
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Corresponding author

Correspondence to V. P. Tarasov .

Editor information

Editors and Affiliations

  1. , Institute of Hydrogen and Solar Energy, Ukrainian Academy of Sciences, Krzhyzhanovsky str. 3, Kiev, 03150, Ukraine

    Svetlana Yu. Zaginaichenko

  2. , Inst. for Problems of Materials Science, Ukrainian Academy of Sciences, Krzhyzhanovsky str. 3, Kiev, 03150, Ukraine

    Dmitry V. Schur

  3. , Inst. for Problems of Materials Science, Ukrainian Academy of Sciences, Krzhyzhanovsky str. 3, Kiev, 03142, Ukraine

    Valeriy V. Skorokhod

  4. International Association for Hydrogen E, University of Miami, 5794 SW 40 St. # 303, Miami, 33155, Florida, USA

    Ayfer Veziroglu

  5. , Department of Mechanical Engineering, Gazi University, Yukselis Street 5, Ankara, Turkey

    Beycan İbrahimoğlu

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Tarasov, V.P., Izotov, D.E., Shul’ga, Y.M. (2011). Electric Field Gradients at Hydrogen and Metal Sites in Light Metal Hydrides. In: Zaginaichenko, S., Schur, D., Skorokhod, V., Veziroglu, A., İbrahimoğlu, B. (eds) Carbon Nanomaterials in Clean Energy Hydrogen Systems - II. NATO Science for Peace and Security Series C: Environmental Security, vol 2. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-0899-0_20

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