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• W2045493626 startingPage "S513" @default.
• W2045493626 abstract "Equimolar NaBH4–NaX (X = Cl and I) solid solutions were synthesized to study, via quasielastic neutron scattering, the effect of partial halide anion substitution on the reorientational dynamics of tetrahydroborate (BH4−) anions in NaBH4. The BH4− reorientational mobility increased in the order of NaBH4–NaCl, NaBH4, and NaBH4–NaI, which corresponded with expanding face-centered-cubic lattices accommodating the respective increasing sizes of the Cl−, BH4−, and I− anions. The BH4− anions in NaBH4–NaCl were found (at least above 400 K) to undergo ‘cubic’ tumbling motions with the four H atoms per anion visiting all eight corners of a cube, similar to what was previously observed for NaBH4. In contrast, the BH4− anions in NaBH4–NaI were found to undergo something more akin to ‘tetrahedral’ tumbling motions, where the H atoms visit all four corners of a tetrahedron. Despite a noticeable softening of the BH4− torsional energies with increasing lattice constant amongst NaBH4 and the two solid solutions, all three compounds exhibited similar activation energies for reorientation of about 11–12 kJ mol−1." @default.
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• W2045493626 date "2015-10-01" @default.
• W2045493626 modified "2023-10-14" @default.
• W2045493626 title "Quasielastic neutron scattering study of tetrahydroborate anion dynamical perturbations in sodium borohydride due to partial halide anion substitution" @default.
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• W2045493626 doi "https://doi.org/10.1016/j.jallcom.2014.12.070" @default.
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