Field-stepwise-swept solid-state 127I NMR of 1,4-diiodobenzene

Kazuhiko Yamada; Tatsuo Kaiho

doi:10.1016/j.ssnmr.2023.101905

Field-stepwise-swept solid-state ¹²⁷I NMR of 1,4-diiodobenzene

Solid State Nucl Magn Reson. 2023 Dec:128:101905. doi: 10.1016/j.ssnmr.2023.101905. Epub 2023 Dec 2.

Authors

Kazuhiko Yamada¹, Tatsuo Kaiho²

Affiliations

¹ Interdisciplinary Science Unit, Multidisciplinary Sciences Cluster, Research and Education Faculty, Kochi University, Oko Campus, Nankoku, Kochi, 783-8505, Japan. Electronic address: kyamada@kochi-u.ac.jp.
² Godo Shigen Co. Ltd. , Chiba Iodine Resource Innovation Center, Chiba University, 1-33 Yayoi-Cho, Inage-Ku, Chiba, 263-8522, Japan.

PMID: 38056375
DOI: 10.1016/j.ssnmr.2023.101905

Abstract

Field-stepwise-swept solid-state ¹²⁷I NMR experiments of 1,4-diiodobenzene, C₆H₄I₂, applied to a Zeeman-perturbed NQR region, have been presented. A series of QCPMG measurements is performed at T = 90 K with resonant frequencies of 271 MHz in the range of magnetic fields from 2.5 T to zero with the interval of 12 mT. The spectral simulation, in which a numerical calculation involves the diagonalization of the combined Zeeman-quadrupolar Hamiltonian, provides quadrupole coupling constant (C_Q) = 1863(5) MHz and the asymmetry parameter (η_Q) = 0.04(2). The ¹²⁷I NQR spectrum is observed at T = 90 K, which is consistent in the above experimental results.

Keywords: 1,4-Diiodobenzene; Field-stepwise-swept NMR; Solid-state iodine-127 NMR.