Nuclear Magnetic Resonance Study of Reorientational Motion in α-Mg(BH4)2

被引:53
作者
Skripov, Alexander V. [1 ]
Soloninin, Alexei V. [1 ]
Babanova, Olga A. [1 ]
Hagemann, Hans [2 ]
Filinchuk, Yaroslav [3 ]
机构
[1] Russian Acad Sci, Inst Met Phys, Ural Div, Ekaterinburg 620041, Russia
[2] Univ Geneva, Dept Chim Phys, CH-1211 Geneva, Switzerland
[3] Swiss Norwegian Beamlines ESRF, F-38043 Grenoble, France
基金
瑞士国家科学基金会;
关键词
X-RAY-DIFFRACTION; MAGNESIUM BOROHYDRIDE; HYDROGEN STORAGE; MG(BH4)(2); LIBH4; PHASE; RELAXATION; DIFFUSION; NMR;
D O I
10.1021/jp1037206
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
To study the reorientational motion of BH4 groups in the low-temperature (alpha) phase of Mg(BH4)(2), we have performed nuclear magnetic resonance (NMR) measurements of the H-1 and B-11 spin-lattice relaxation rates in this compound over wide ranges of temperature (82-443 K) and resonance frequency (14-90 MHz for H-1 and 14-28 MHz for B-11). It is found that the thermally activated reorientational motion in alpha-Mg(BH4)(2) is characterized by a coexistence of at least three jump processes with strongly differing activation energies. Taking into account the anisotropy of the local environment of BH4 groups in alpha-Mg(BH4)(2), these jump processes can be attributed to different types of reorientation. The nearly linear coordination of BH4 groups by two Mg atoms suggests that the fastest jump process corresponds to the rotation around the 2-fold axis connecting B and two Mg atoms, whereas the slowest process is associated with the rotation around two other 2-fold axes perpendicular to the Mg-B-Mg line.
引用
收藏
页码:12370 / 12374
页数:5
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