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Nuclear magnetic relaxation studies of BH₄ in metal Borohydrides

Kim, Chul and Ku, Jessie and Hwang, Son‐Jong and Bowman, Robert C., Jr. and Reiter, Joseph W. (2021) Nuclear magnetic relaxation studies of BH₄ in metal Borohydrides. Bulletin of the Korean Chemical Society, 42 (11). pp. 1481-1492. ISSN 1229-5949. doi:10.1002/bkcs.12401.

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A different approach of nuclear magnetic resonance (NMR) relaxation of the rotational motion of BH₄ tetrahedron in light metal borohydrides was introduced. Previous NMR relaxation studies were mainly performed using an approximation which is based on a single exponential transition approach for the spin–lattice relaxation of the spin under quadrupolar interaction. In this new approach, a relaxation rate equation was derived by strictly taking into account both electric quadrupolar and magnetic dipolar contributions to the transitions between Zeeman energy states of quadrupolar ¹¹B nucleus that was coupled to many proton spins. Two exponential relaxation times derived from our theoretical treatment were applied to the analysis of ¹¹B spin–lattice relaxation of LiBH₄ and Ca(BH₄)₂. The activation energies and the correlation times of the reorientational motions of BH₄ were evaluated from the two experimental spin–lattice relaxation times. The results were compared to previous activation energies and correlation times.

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Bowman, Robert C., Jr.0000-0002-2114-1713
Alternate Title:Nuclear magnetic relaxation studies of BH4 in metal Borohydrides
Additional Information:© 2021 Korean Chemical Society, Seoul & Wiley-VCH GmbH. Issue Online: 22 November 2021; Version of Record online: 14 September 2021; Manuscript accepted: 31 August 2021; Manuscript revised: 30 August 2021; Manuscript received: 23 July 2021.
Subject Keywords:metal borohydride; NMR; spin–lattice relaxation; reorientational motion
Issue or Number:11
Record Number:CaltechAUTHORS:20211001-191106100
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Official Citation:Nuclear magnetic relaxation studies of BH4 in metal Borohydrides. Kim, C., Ku, J., Hwang, S.-J., Bowman, R. C., Reiter, J. W., Bull. Korean Chem. Soc 2021, 42(11), 1481–1492.
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:111154
Deposited By: Tony Diaz
Deposited On:04 Oct 2021 20:35
Last Modified:23 Nov 2021 22:04

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