论文标题

使用2D光谱法相关

Correlation of high-field and zero- to ultralow-field NMR properties using 2D spectroscopy

论文作者

Zhukov, Ivan V., Kiryutin, Alexey S., Yurkovskaya, Alexandra V., Blanchard, John W., Budker, Dmitry, Ivanov, Konstantin L.

论文摘要

由于光学磁力计的进展以及Zulf NMR的有吸引力的特征,例如低硬件成本和在Zulf条件下实现的出色光谱分辨率,零至超田(Zulf)核磁共振(NMR)目前正在迅速增长。在这项工作中,提出了一种方法,并证明了同时获得复杂混合物中化合物的单个13C同位素的Zulf-NMR光谱。该方法利用快场循环,使自旋进化发生在Zulf条件下,而信号检测是在高场NMR光谱仪中进行的。该方法具有出色的灵敏度,还可以轻松分配Zulf-NMR光谱为混合物中的特定分析物。我们证明了光谱信息与Zulf-NMR给出的信息相同,该信息使该方法适合于创建各种化合物及其同位素体的Zulf-NMR光谱库。现场循环实验的结果可以方便地显示为2D-NMR光谱,直接检测可提供高场13C-NMR光谱(携带化学偏移信息)和间接尺寸,从而提供了Zulf-NMR频谱(包含有关Proton-Coar-Coar-Cobar-Cobar-coar-coarbon-cobarbon-cobom-cobarbon j-couplings的信息)。因此,该方法可以看作是异核J分解光谱的变体,这是第一个2D-NMR技术之一。

The field of zero- to ultralow-field (ZULF) nuclear magnetic resonance (NMR) is currently experiencing a rapid growth, owing to the progress in optical magnetometry, and also attractive features of ZULF NMR, such as low hardware cost and excellent spectral resolution achieved under ZULF conditions. In this work, an approach is proposed and demonstrated for simultaneous acquisition of ZULF-NMR spectra of individual 13C-containing isotopomers of chemical compounds in a complex mixture. The method makes use of fast field cycling, so that the spin evolution takes place at ZULF conditions, whereas signal detection is performed in a high-field NMR spectrometer. This method has excellent sensitivity, also allowing easy assignment of ZULF-NMR spectra to specific analytes in the mixture. We demonstrate that the spectral information is the same as that given by ZULF-NMR, which makes the method suitable for creating a library of ZULF-NMR spectra of various compounds and their isotopomers. The results of the field-cycling experiments can be presented in a convenient way as 2D-NMR spectra with the direct detection giving the high-field 13C-NMR spectrum (carrying the chemical-shift information) and the indirect dimension giving the ZULF-NMR spectrum (containing information about proton-carbon J-couplings). Hence, the method can be seen as a variant of heteronuclear J-resolved spectroscopy, one of the first 2D-NMR techniques.

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