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Mechanochemistry of the LiBH4-AlCl3 System: Structural Characterization of the Products by Solid-State NMR

TitleMechanochemistry of the LiBH4-AlCl3 System: Structural Characterization of the Products by Solid-State NMR
Publication TypeJournal Article
Year of Publication2018
AuthorsKobayashi, T, Dolotko, O, Gupta, S, Pecharsky, VK, Pruski, M
JournalJournal of Physical Chemistry C
Volume122
Pagination1955-1962
Date Published02
Type of ArticleArticle
ISBN Number1932-7447
Accession NumberWOS:000424316200009
Keywordsaluminoborate glasses, aluminum borohydride, angle-spinning nmr, chemistry, decomposition pathway, double-resonance nmr, hydrogen storage, materials, Materials Science, metal-borohydrides, nuclear-magnetic-resonance, quadrupolar nuclei, reorientational motion, Technology - Other Topics
Abstract

ray diffraction (XRD) found that the 11:3 ratio product maintains the Li(4)A(13)(BH4)(13)-like structure, with additional anions substituting for [BH4](-) compared to the 13:3 mixture. Further decrease of relative LiBH4 concentration in the starting mixture to 9:3 results in a different product composed of tetrahedral [Al(BH4)(4)](-) and [Al(BH4)(2)Cl-2](-) complexes, in which two hydrogen atoms of each borohydride group are bridged to aluminum sites. Additionally, SSNMR revealed the covalent character of the Al-H bonds, which is not observed in Li(4)A(13)(BH4)(13). These findings suggest that the Al-Cl bonding present in the chlorinated complexes prevents the formation of Al(BH4)(3), which is a known intermediate leading to the formation of diborane during thermal dehydrogenation of the nearly chlorine-free Li(4)A(13)(BH4)(13).

DOI10.1021/acs.jpcc.7b10856
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3D Catalysis