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Symmetrized Normal Mode Analysis of the Spin–Lattice Relaxation of Metal Borohydrides in Solids
Author(s) -
Kim Chul
Publication year - 2019
Publication title -
bulletin of the korean chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.237
H-Index - 59
ISSN - 1229-5949
DOI - 10.1002/bkcs.11867
Subject(s) - nucleus , chemistry , spin–lattice relaxation , dipole , relaxation (psychology) , lattice (music) , solid state nuclear magnetic resonance , solid state , condensed matter physics , molecular physics , nuclear magnetic resonance , physics , nuclear quadrupole resonance , psychology , social psychology , organic chemistry , biology , acoustics , microbiology and biotechnology
The spin–lattice relaxation of a quadrupolar nucleus 11 B of solid borohydrides was measured by using solid‐state NMR techniques and the experimental data were analyzed with a newly‐constructed relaxation matrix. The spectral densities for dipole–dipole, quadrupolar, and random‐field interactions were obtained, and the quadrupolar contribution to the spin–lattice relaxation of 11 B nucleus of solid borohydrides were calculated as well. The quadrupolar contribution was less than 10% in solid LiBH 4 , as has been reported. In addition, the quadrupolar contribution was more than 30% in solid Mg(BH 4 ) 2 , as was expected. The symmetrized normal mode analysis for the spin–lattice relaxation of a quadrupolar nucleus could provide more accurate spectroscopic parameters, and is expected to improve accuracy of the description of the rotational motion of the local chemical unit containing the quadrupolar nucleus.