Solid State Nuclear Magnetic Resonance ( IF 1.8 ) Pub Date : 2023-12-02 , DOI: 10.1016/j.ssnmr.2023.101905 Kazuhiko Yamada 1 , Tatsuo Kaiho 2
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 (CQ) = 1863(5) MHz and the asymmetry parameter (ηQ) = 0.04(2). The 127I NQR spectrum is observed at T = 90 K, which is consistent in the above experimental results.
中文翻译:
1,4-二碘苯的场逐步扫描固态 127I NMR
已经提出了应用于塞曼扰动 NQR 区域的 1,4-二碘苯 C 6 H 4 I 2的场逐步扫描固态127 I NMR 实验。在T = 90 K、谐振频率为 271 MHz、磁场范围从 2.5 T 到零、间隔为 12 mT 时进行了一系列 QCPMG 测量。光谱模拟中的数值计算涉及组合塞曼-四极哈密顿量的对角化,提供四极耦合常数 ( C Q ) = 1863(5) MHz 和不对称参数 (η Q ) = 0.04(2)。在T =90 K时观察到127 I NQR谱,与上述实验结果一致。