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Separated quadrupole and shift interactions of 2H NMR spectra in paramagnetic solids by asymmetric pulse sequences
Solid State Nuclear Magnetic Resonance ( IF 1.8 ) Pub Date : 2021-01-16 , DOI: 10.1016/j.ssnmr.2020.101709
Takahiro Iijima 1 , Shinobu Ohki 2 , Masataka Tansho 2
Affiliation  

Separated pure-quadrupole (PQ) and -shift (PS) spectra of 2H nuclear magnetic resonance (NMR) of paramagnetic solids are obtained and correlated by simple pulse sequences that can acquire the full magnetization under ideal conditions. Two-dimensional NMR signals obtained using an asymmetric π-pulse-inserted quadrupole-echo (APIQE) sequence yielded separated spectra through the skew operation of an affine transform (AT) before a Fourier transform. Modified APIQE sequences that acquire whole echo signals were fabricated, and separated PQ and PS spectra were obtained by applying a combination of AT, such as rotation and skew operations, to the signal data. These methods were demonstrated for diamagnetic Zn(CD3CO2)2⋅2H2O and paramagnetic Nd(CD3CO2)3⋅1.5H2O. Further, the dynamics of the D2O molecule and [Co(D2O)6]2+ ion in paramagnetic CoSiF6⋅6D2O was analyzed based on the temperature dependence of the separated spectra.



中文翻译:

通过不对称脉冲序列分离顺磁性固体中 2H NMR 光谱的四极和位移相互作用

获得了顺磁性固体的2 H核磁共振(NMR)的分离的纯四极(PQ)和位移(PS)光谱,并通过在理想条件下可以获得全磁化强度的简单脉冲序列进行关联。使用不对称π脉冲插入四极回波 (APIQE) 序列获得的二维 NMR 信号通过在傅里叶变换之前的仿射变换 (AT) 的偏斜操作产生分离的光谱。制作了获取整个回波信号的改进的APIQE序列,并通过对信号数据应用旋转和倾斜操作等AT组合来获得分离的PQ和PS谱。这些方法证明了抗磁性 Zn(CD 3 CO 2 ) 2⋅2H 2 O和顺磁性Nd(CD 3 CO 2 ) 3 ⋅1.5H 2 O。此外,顺磁性CoSiF 6 ⋅6D 2中的D 2 O分子和[Co(D 2 O) 6 ] 2+离子的动力学基于分离光谱的温度依赖性分析 O。

更新日期:2021-01-24
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